Geometry & MOs

Info

ID:

104090

PubChem CID:

50091495

Reduced:

O5N6C40H50 (1)

Stoich.:

A5B6C40D50 (1)

Weight, g/mol:

574.135002

ΔHf, kcal/mol:

-199.98

Dipole, Da:

12.39

IP(EA), eV:

 -8.39(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCC5

DOS

IR

Vibrations