Geometry & MOs

Info

ID:

111823

PubChem CID:

50382562

Reduced:

NOC7H9 (6)

Stoich.:

ABC7D9 (6)

Weight, g/mol:

625.22637

ΔHf, kcal/mol:

-238.37

Dipole, Da:

5.91

IP(EA), eV:

 -8.17(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-bromo-3-(methylcarbamoyl)phenyl]-1-[2-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations