Geometry & MOs

Info

ID:	228098
PubChem CID:	87563443
Reduced:	ClSN3O3C16H16 (1)
Stoich.:	ABC3D3E16F16 (1)
Weight, g/mol:	159.974964
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	6.11
IP(EA), eV:	-8.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N.Cl

DOS

IR

Vibrations