Geometry & MOs

Info

ID:

117754

PubChem CID:

50614282

Reduced:

Cl2O5N6C38H52 (1)

Stoich.:

A2B5C6D38E52 (1)

Weight, g/mol:

750.306324

ΔHf, kcal/mol:

-250.04

Dipole, Da:

11.98

IP(EA), eV:

 -8.79(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-chlorobenzoyl)amino]-4-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC4CCCCC4)Cl)Cl

DOS

IR

Vibrations