Geometry & MOs

Info

ID:

215670

PubChem CID:

85085056

Reduced:

O4C39H47 (2)

Stoich.:

A4B39C47 (2)

Weight, g/mol:

1164.640377

ΔHf, kcal/mol:

-307.04

Dipole, Da:

4.9

IP(EA), eV:

 -9.16(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-naphthalen-1-ylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]-(2-aminoethyl)amino]acetyl]amino]-3-methylpentanoyl]-(2-methylpropyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2CC3=CC=CC=C3)OC(=O)C4=CC(=C(C=C4C(=O)OC5C(C6CCC5(C6(C)C)C)CC7=CC=CC=C7)C(=O)OC8C(C9CCC8(C9(C)C)C)CC1=CC=CC=C1)C(=O)OC1C(C2CCC1(C2(C)C)C)CC1=CC=CC=C1)C)C

DOS

IR

Vibrations