Geometry & MOs

Info

ID:	373480
PubChem CID:	131315948
Reduced:	S2N3C8H9 (1)
Stoich.:	A2B3C8D9 (1)
Weight, g/mol:	220.055801
ΔH_f, kcal/mol:	75.86
Dipole, Da:	4.3
IP(EA), eV:	-9.19(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-6-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=C(N=CS1)C2=C(C=NS2)CCN

DOS

IR

Vibrations