Geometry & MOs

Info

ID:	280436
PubChem CID:	103849274
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	303.074071
ΔH_f, kcal/mol:	-101.95
Dipole, Da:	3.86
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethylsulfanyl)-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)CCC2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations