Geometry & MOs

Info

ID:

111794

PubChem CID:

50381411

Reduced:

O4N5C33H45 (1)

Stoich.:

A4B5C33D45 (1)

Weight, g/mol:

649.339483

ΔHf, kcal/mol:

-176.91

Dipole, Da:

9.72

IP(EA), eV:

 -8.43(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C(C)C)C

DOS

IR

Vibrations