Geometry & MOs

Info

ID:

111157

PubChem CID:

50354640

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

623.347155

ΔHf, kcal/mol:

-212.98

Dipole, Da:

6.25

IP(EA), eV:

 -8.52(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-methylbenzoyl)amino]phenyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations