Geometry & MOs

Info

ID:	427712
PubChem CID:	135161591
Reduced:	O4N6H14C17 (1)
Stoich.:	A4B6C14D17 (1)
Weight, g/mol:	1055.312192
ΔH_f, kcal/mol:	-24.11
Dipole, Da:	6.13
IP(EA), eV:	-9.32(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl (2E)-2-[(E)-3-[1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-5-methoxysulfonyl-3-(3-methoxysulfonylpropyl)-3-methylindol-1-ium-2-yl]prop-2-enylidene]-1-(2-methoxyethyl)-3-(3-methoxysulfonylpropyl)-3-methylindole-5-sulfonate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@@H](OC2=C1C=C(C=C2)OC3=C4CNC(=O)NC4=NC=C3)C(=O)N=[N+]=[N-]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1[C@@H](OC2=C1C=C(C=C2)OC3=C4CNC(=O)NC4=NC=C3)C(=O)N=[N+]=[N-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):