Geometry & MOs

Info

ID:

104007

PubChem CID:

50086897

Reduced:

ClO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-174.14

Dipole, Da:

8.47

IP(EA), eV:

 -8.42(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCCC6

DOS

IR

Vibrations