Geometry & MOs

Info

ID:	412811
PubChem CID:	135085740
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	195.0354
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	3.29
IP(EA), eV:	-8.23(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(2-oxopropoxy)thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)/N=C(\C)/C(C)C

DOS

IR

Vibrations