Geometry & MOs

Info

ID:	137362
PubChem CID:	52198220
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	253.056135
ΔH_f, kcal/mol:	-131.86
Dipole, Da:	5.38
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-methylphenyl)-2-(thiophene-3-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)/C=C/C2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations