Geometry & MOs

Info

ID:

111846

PubChem CID:

50383889

Reduced:

BrO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-204.95

Dipole, Da:

3.02

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoyl-5-chloroanilino)-2-oxoethyl]-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)NCC(=O)NC4=CC(=C(C=C4)Br)C(=O)NC)C

DOS

IR

Vibrations