Geometry & MOs

Info

ID:	325666
PubChem CID:	126684409
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	778.368157
ΔH_f, kcal/mol:	-185.76
Dipole, Da:	1.74
IP(EA), eV:	-9.69(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-N-[N'-[4-[6-[(2S)-2-amino-3-oxo-3-[4-[3-[[(2R,4S,5R)-2,4,5,6-tetrahydroxyhexyl]amino]propyl]anilino]propyl]naphthalen-2-yl]butyl]carbamimidoyl]-6-chloropyrazine-2-carboxamide

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

C[C@@H](CC(C)C)[C@H]([C@H]1[C@@H](COC(O1)C2=CC=CC=C2)O)O

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

C[C@@H](CC(C)C)[C@H]([C@H]1[C@@H](COC(O1)C2=CC=CC=C2)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):