Geometry & MOs

Info

ID:	117773
PubChem CID:	50615234
Reduced:	ClFO3N4C24H28 (1)
Stoich.:	ABC3D4E24F28 (1)
Weight, g/mol:	597.195439
ΔH_f, kcal/mol:	-160.88
Dipole, Da:	4.95
IP(EA), eV:	-9.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-[(2,5-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC)F

DOS

IR

Vibrations