Geometry & MOs

Info

ID:

222981

PubChem CID:

85333629

Reduced:

N9O14C31H53 (1)

Stoich.:

A9B14C31D53 (1)

Weight, g/mol:

775.402396

ΔHf, kcal/mol:

-685.11

Dipole, Da:

8.92

IP(EA), eV:

 -9.95(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C(C)O)NC(=O)C(C)N

DOS

IR

Vibrations