Geometry & MOs

Info

ID:

117986

PubChem CID:

50623129

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-177.77

Dipole, Da:

4.69

IP(EA), eV:

 -8.71(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(piperidine-1-carbonyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations