Geometry & MOs

Info

ID:

109120

PubChem CID:

50273613

Reduced:

O4N5C36H43 (1)

Stoich.:

A4B5C36D43 (1)

Weight, g/mol:

633.251811

ΔHf, kcal/mol:

-143.36

Dipole, Da:

7.47

IP(EA), eV:

 -8.52(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C)C

DOS

IR

Vibrations