Geometry & MOs

Info

ID:	155870
PubChem CID:	56368018
Reduced:	ClSN2O2F3H18C20 (1)
Stoich.:	ABC2D2E3F18G20 (1)
Weight, g/mol:	491.164555
ΔH_f, kcal/mol:	-201.21
Dipole, Da:	4.21
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-methyl-1-oxo-1-[(3-piperidin-1-ylsulfonylphenyl)methylamino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)F)C(=O)NC3=C(C(=CC=C3)Cl)SC(F)F

DOS

IR

Vibrations