Geometry & MOs

Info

ID:

340081

PubChem CID:

127262090

Reduced:

N9O9C40H61 (1)

Stoich.:

A9B9C40D61 (1)

Weight, g/mol:

414.187635

ΔHf, kcal/mol:

-437.55

Dipole, Da:

3.4

IP(EA), eV:

 -9.27(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]-[bis(1H-imidazol-2-yl)methyl]amino]-3-(1H-imidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations