Geometry & MOs

Info

ID:

91795

PubChem CID:

49979212

Reduced:

N6O7C41H50 (1)

Stoich.:

A6B7C41D50 (1)

Weight, g/mol:

738.374098

ΔHf, kcal/mol:

-251.31

Dipole, Da:

9.7

IP(EA), eV:

 -8.03(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-[(3-methylbenzoyl)amino]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)NC(=O)C6=CC=CC=C6C)OC

DOS

IR

Vibrations