Geometry & MOs

Info

ID:

113993

PubChem CID:

50467407

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-198.82

Dipole, Da:

9.08

IP(EA), eV:

 -8.74(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)N(C)C)OC)C

DOS

IR

Vibrations