Geometry & MOs

Info

ID:

110978

PubChem CID:

50346930

Reduced:

O5N6C35H46 (1)

Stoich.:

A5B6C35D46 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-208.17

Dipole, Da:

8.83

IP(EA), eV:

 -8.14(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2-chlorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5

DOS

IR

Vibrations