Geometry & MOs

Info

ID:

113327

PubChem CID:

50440172

Reduced:

FO3N4C31H35 (1)

Stoich.:

AB3C4D31E35 (1)

Weight, g/mol:

786.315281

ΔHf, kcal/mol:

-131.22

Dipole, Da:

8.29

IP(EA), eV:

 -8.89(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C)C

DOS

IR

Vibrations