Geometry & MOs

Info

ID:

91803

PubChem CID:

49979256

Reduced:

N6O7C35H46 (1)

Stoich.:

A6B7C35D46 (1)

Weight, g/mol:

632.332233

ΔHf, kcal/mol:

-272.01

Dipole, Da:

11.02

IP(EA), eV:

 -8.74(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(methylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C

DOS

IR

Vibrations