Geometry & MOs

Info

ID:	145183
PubChem CID:	53475120
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	263.098
ΔH_f, kcal/mol:	-76.86
Dipole, Da:	1.29
IP(EA), eV:	-8.13(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(prop-2-ynylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NCC=C

DOS

IR

Vibrations