Geometry & MOs

Info

ID:

108808

PubChem CID:

50260084

Reduced:

FO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

674.298346

ΔHf, kcal/mol:

-190.22

Dipole, Da:

6.99

IP(EA), eV:

 -8.71(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C)C

DOS

IR

Vibrations