Geometry & MOs

Info

ID:

224085

PubChem CID:

85338008

Reduced:

N4O7C31H32 (1)

Stoich.:

A4B7C31D32 (1)

Weight, g/mol:

573.287074

ΔHf, kcal/mol:

-225.56

Dipole, Da:

0.61

IP(EA), eV:

 -8.78(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)CN3CCCC(C3=O)NC(=O)NC(CC(=O)O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations