Geometry & MOs

Info

ID:	437769
PubChem CID:	135226998
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	220.012492
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	8.35
IP(EA), eV:	-7.71(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-fluoro-4-propan-2-ylsulfinylbenzene

Drug info:

PubChemData

Smile

CCS(=NC1=CC(=C(C=C1)OCC2CC2)C3=CN(C(=O)C4=C3C=CN4)C)(=O)CC

DOS

IR

Vibrations