Geometry & MOs

Info

ID:

113205

PubChem CID:

50434656

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-181.55

Dipole, Da:

8.03

IP(EA), eV:

 -8.67(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NCC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations