Geometry & MOs

Info

ID:

91862

PubChem CID:

49979696

Reduced:

N5O6C34H43 (1)

Stoich.:

A5B6C34D43 (1)

Weight, g/mol:

742.324561

ΔHf, kcal/mol:

-227.2

Dipole, Da:

8.68

IP(EA), eV:

 -8.91(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(2-methylphenyl)carbamoyl]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=CC(=C5)C(=O)C

DOS

IR

Vibrations