Geometry & MOs

Info

ID:

93833

PubChem CID:

49997082

Reduced:

NOC8H11 (4)

Stoich.:

ABC8D11 (4)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-170.85

Dipole, Da:

10.41

IP(EA), eV:

 -8.81(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)phenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations