Geometry & MOs

Info

ID:	280377
PubChem CID:	103848767
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	321.064649
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	4.2
IP(EA), eV:	-9.54(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1(CNC(=O)C2=CN=C3N(C2=O)C=CS3)O

DOS

IR

Vibrations