Geometry & MOs

Info

ID:

215495

PubChem CID:

85084816

Reduced:

N11O14C43H65 (1)

Stoich.:

A11B14C43D65 (1)

Weight, g/mol:

959.491211

ΔHf, kcal/mol:

-608.05

Dipole, Da:

11.94

IP(EA), eV:

 -8.95(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NCC(=O)O)NC(=O)C(CO)N

DOS

IR

Vibrations