Geometry & MOs

Info

ID:

435256

PubChem CID:

135186764

Reduced:

N5O5C22H31 (1)

Stoich.:

A5B5C22D31 (1)

Weight, g/mol:

543.280532

ΔHf, kcal/mol:

-202.11

Dipole, Da:

8.7

IP(EA), eV:

 -9.05(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[1-[2-(2-ethylbutylamino)-2-oxoethyl]-5-methyl-2-oxopyridin-3-yl]-N'-methyl-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxohexanediamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2CCN(CC2)C(=O)C(CCC(=O)O)NC(=O)C3CCCN3C(=O)C

DOS

IR

Vibrations