Geometry & MOs

Info

ID:

99537

PubChem CID:

50051054

Reduced:

ClF2O4N5H32C35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-174.52

Dipole, Da:

3.8

IP(EA), eV:

 -9.0(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations