Geometry & MOs

Info

ID:	372481
PubChem CID:	131298356
Reduced:	ClNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	294.988148
ΔH_f, kcal/mol:	-84.24
Dipole, Da:	5.05
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(difluoromethoxy)-4-ethylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

COC1=C2CCCC(C2=C(C=C1)Cl)(CO)N

DOS

IR

Vibrations