Geometry & MOs

Info

ID:

97196

PubChem CID:

50028415

Reduced:

ClF2O4N5C30H30 (1)

Stoich.:

AB2C4D5E30F30 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-220.0

Dipole, Da:

8.0

IP(EA), eV:

 -8.9(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(4-methylbenzoyl)amino]phenyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C)Cl

DOS

IR

Vibrations