Geometry & MOs

Info

ID:

91119

PubChem CID:

49973422

Reduced:

N3O3C16H20 (2)

Stoich.:

A3B3C16D20 (2)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-226.77

Dipole, Da:

6.81

IP(EA), eV:

 -9.13(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylpropylcarbamoyl)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=C(C=C5)C(=O)N

DOS

IR

Vibrations