Geometry & MOs

Info

ID:	199231
PubChem CID:	79221082
Reduced:	SN2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	314.064651
ΔH_f, kcal/mol:	19.98
Dipole, Da:	3.07
IP(EA), eV:	-8.38(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,3-dihydro-1-benzothiophen-3-ylmethylsulfonyl)-2-methylpropanoate

Drug info:

PubChemData

Smile

CN1CCC(C1)NCC2CSC3=CC=CC=C23

DOS

IR

Vibrations