Geometry & MOs

Info

ID:

223114

PubChem CID:

85334526

Reduced:

SN7O7C25H46 (2)

Stoich.:

AB7C7D25E46 (2)

Weight, g/mol:

1179.673743

ΔHf, kcal/mol:

-732.33

Dipole, Da:

10.35

IP(EA), eV:

 -9.19(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)O)N

DOS

IR

Vibrations