Geometry & MOs

Info

ID:

106577

PubChem CID:

50169543

Reduced:

O4N5C35H47 (1)

Stoich.:

A4B5C35D47 (1)

Weight, g/mol:

625.283111

ΔHf, kcal/mol:

-176.41

Dipole, Da:

8.45

IP(EA), eV:

 -8.74(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-1-[1-[1-[2-methyl-4-(piperidine-1-carbonyl)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)N5CCCCC5)C)C

DOS

IR

Vibrations