Geometry & MOs

Info

ID:

91166

PubChem CID:

49973745

Reduced:

N6O7C37H48 (1)

Stoich.:

A6B7C37D48 (1)

Weight, g/mol:

706.324561

ΔHf, kcal/mol:

-272.66

Dipole, Da:

9.25

IP(EA), eV:

 -8.95(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)N6CCOCC6

DOS

IR

Vibrations