Geometry & MOs

Info

ID:

113512

PubChem CID:

50449315

Reduced:

F3O4N5C32H34 (1)

Stoich.:

A3B4C5D32E34 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-269.72

Dipole, Da:

2.06

IP(EA), eV:

 -8.88(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations