Geometry & MOs

Info

ID:

105831

PubChem CID:

50139700

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-146.02

Dipole, Da:

8.61

IP(EA), eV:

 -8.89(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C)Cl

DOS

IR

Vibrations