Geometry & MOs

Info

ID:	199228
PubChem CID:	79220246
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	209.033292
ΔH_f, kcal/mol:	-43.6
Dipole, Da:	1.67
IP(EA), eV:	-8.79(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1-benzothiophen-3-yl)ethanethioamide

Drug info:

PubChemData

Smile

CC(C)CC(CC1COC2=CC=CC=C12)N

DOS

IR

Vibrations