Geometry & MOs

Info

ID:	381186
PubChem CID:	134971841
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	329.108565
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	3.24
IP(EA), eV:	-8.25(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-acetylanilino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCCC2)NC3=CC=CC=C3

DOS

IR

Vibrations