Geometry & MOs

Info

ID:

113091

PubChem CID:

50431052

Reduced:

F5N5O5C33H34 (1)

Stoich.:

A5B5C5D33E34 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-418.11

Dipole, Da:

3.76

IP(EA), eV:

 -9.13(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3OC(F)(F)F)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations