Geometry & MOs

Info

ID:

111789

PubChem CID:

50381170

Reduced:

ClO4N5C36H48 (1)

Stoich.:

AB4C5D36E48 (1)

Weight, g/mol:

623.323833

ΔHf, kcal/mol:

-197.25

Dipole, Da:

6.13

IP(EA), eV:

 -8.81(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-4-chlorophenyl]-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=C(C=C(C=C4)Cl)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations