Geometry & MOs

Info

ID:

113997

PubChem CID:

50467411

Reduced:

N3O3C20H25 (2)

Stoich.:

A3B3C20D25 (2)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-217.39

Dipole, Da:

7.87

IP(EA), eV:

 -8.69(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)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)NCC(C)C)OC)C

DOS

IR

Vibrations