Geometry & MOs

Info

ID:	338831
PubChem CID:	127259842
Reduced:	NOSH19C21 (1)
Stoich.:	ABCD19E21 (1)
Weight, g/mol:	243.071785
ΔH_f, kcal/mol:	55.54
Dipole, Da:	5.35
IP(EA), eV:	-8.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(4-methylanilino)-sulfanylmethylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)/C(=C\3/C=CC=CC3=O)/S

DOS

IR

Vibrations