Geometry & MOs

Info

ID:	433178
PubChem CID:	135173315
Reduced:	ClOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	230.016829
ΔH_f, kcal/mol:	-17.38
Dipole, Da:	3.24
IP(EA), eV:	-8.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-4-cyclopropylsulfonylbenzene

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCl)SC2=CC=CC=C2

DOS

IR

Vibrations