Geometry & MOs

Info

ID:

109658

PubChem CID:

50292898

Reduced:

ClO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

672.282696

ΔHf, kcal/mol:

-156.07

Dipole, Da:

3.48

IP(EA), eV:

 -8.87(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-carbamoyl-4-chlorophenyl)-1-[1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6=CC=CC=C6C)C

DOS

IR

Vibrations