Geometry & MOs

Info

ID:	84548
PubChem CID:	49867673
Reduced:	SN4O8C22H26 (1)
Stoich.:	AB4C8D22E26 (1)
Weight, g/mol:	216.309814
ΔH_f, kcal/mol:	-270.49
Dipole, Da:	2.02
IP(EA), eV:	-10.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	4

Chem-info

IUPAC name:

trideuterio-[3-[dideuterio-[4-[dideuterio-[3-(trideuterioazaniumyl)propyl]azaniumyl]butyl]azaniumyl]propyl]azanium

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(C(=NO1)C2=CC=CC=C2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)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(C(=NO1)C2=CC=CC=C2)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)OC[C@@H](C(=O)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):