Geometry & MOs

Info

ID:	372580
PubChem CID:	131300157
Reduced:	BrNSF2O2H4C9 (1)
Stoich.:	ABCD2E2F4G9 (1)
Weight, g/mol:	294.988148
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	4.31
IP(EA), eV:	-9.49(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-5-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=C(C=C2C(F)F)[N+](=O)[O-])Br

DOS

IR

Vibrations