Geometry & MOs

Info

ID:

92253

PubChem CID:

49984707

Reduced:

O4N5C30H39 (1)

Stoich.:

A4B5C30D39 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-154.77

Dipole, Da:

8.58

IP(EA), eV:

 -9.0(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(2,5-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)NC

DOS

IR

Vibrations