Geometry & MOs

Info

ID:

215657

PubChem CID:

85085039

Reduced:

P3N9O25C39H58 (1)

Stoich.:

A3B9C25D39E58 (1)

Weight, g/mol:

1139.697272

ΔHf, kcal/mol:

-1286.91

Dipole, Da:

4.5

IP(EA), eV:

 -9.83(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5CO)N6C=CC(=NC6=O)N)N7CC(C(=O)NC7=O)C)N8CC(C(=O)NC8=O)C)O

DOS

IR

Vibrations