Geometry & MOs

Info

ID:	155775
PubChem CID:	56367512
Reduced:	ClF2N2O2S2H13C17 (1)
Stoich.:	AB2C2D2E2F13G17 (1)
Weight, g/mol:	481.123833
ΔH_f, kcal/mol:	-116.82
Dipole, Da:	4.4
IP(EA), eV:	-9.06(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-[3-oxo-3-[(3-piperidin-1-ylsulfonylphenyl)methylamino]propyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CC(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations