Geometry & MOs

Info

ID:	22460
PubChem CID:	597271
Reduced:	NOSC9H11 (1)
Stoich.:	ABCD9E11 (1)
Weight, g/mol:	181.056135
ΔH_f, kcal/mol:	-23.29
Dipole, Da:	3.98
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylthiophen-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C=CC(=O)N

DOS

IR

Vibrations