Geometry & MOs

Info

ID:

110313

PubChem CID:

50319722

Reduced:

ClO3N4C22H25 (1)

Stoich.:

AB3C4D22E25 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-104.14

Dipole, Da:

4.31

IP(EA), eV:

 -8.88(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3Cl)C(=O)N

DOS

IR

Vibrations