Geometry & MOs

Info

ID:	342908
PubChem CID:	127266071
Reduced:	BrNSO3C13H18 (1)
Stoich.:	ABCD3E13F18 (1)
Weight, g/mol:	319.068985
ΔH_f, kcal/mol:	-122.31
Dipole, Da:	2.98
IP(EA), eV:	-9.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethylsulfonyl)-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCS(=O)(=O)C1=CC(=CC=C1)Br

DOS

IR

Vibrations