Geometry & MOs

Info

ID:

93491

PubChem CID:

49995063

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-212.98

Dipole, Da:

5.04

IP(EA), eV:

 -8.94(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations