Geometry & MOs

Info

ID:

109272

PubChem CID:

50279209

Reduced:

NOC7H9 (6)

Stoich.:

ABC7D9 (6)

Weight, g/mol:

730.248202

ΔHf, kcal/mol:

-223.87

Dipole, Da:

5.29

IP(EA), eV:

 -8.63(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)OC)C

DOS

IR

Vibrations