Geometry & MOs

Info

ID:

111513

PubChem CID:

50370633

Reduced:

O5N6C38H54 (1)

Stoich.:

A5B6C38D54 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-227.9

Dipole, Da:

7.54

IP(EA), eV:

 -8.92(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)N(C)C)C

DOS

IR

Vibrations