Geometry & MOs

Info

ID:	403169
PubChem CID:	135059040
Reduced:	NSO4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	348.13457
ΔH_f, kcal/mol:	-60.03
Dipole, Da:	3.78
IP(EA), eV:	-9.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-3-fluoro-6-phenylbenzo[c][2,1]benzoxasiline

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)/C(=C\S(=O)(=O)C3=CC=CC=C3)/N(C2=O)OC

DOS

IR

Vibrations