Geometry & MOs

Info

ID:

102437

PubChem CID:

50067216

Reduced:

F2N4O4C31H34 (1)

Stoich.:

A2B4C4D31E34 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-211.9

Dipole, Da:

2.11

IP(EA), eV:

 -8.56(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations