Geometry & MOs

Info

ID:

93616

PubChem CID:

49995677

Reduced:

ClO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

754.360946

ΔHf, kcal/mol:

-198.06

Dipole, Da:

12.9

IP(EA), eV:

 -8.75(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-chlorobenzoyl)amino]-3-methylphenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=CC=C6C)Cl

DOS

IR

Vibrations