Geometry & MOs

Info

ID:

111824

PubChem CID:

50382563

Reduced:

BrO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

623.347155

ΔHf, kcal/mol:

-166.78

Dipole, Da:

7.36

IP(EA), eV:

 -8.9(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-methylphenyl)-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=CC(=C(C=C4)Br)C(=O)NC)C

DOS

IR

Vibrations