Geometry & MOs

Info

ID:

99318

PubChem CID:

50049833

Reduced:

ClFO5N6C42H46 (1)

Stoich.:

ABC5D6E42F46 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-213.58

Dipole, Da:

10.71

IP(EA), eV:

 -8.65(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations