Geometry & MOs

Info

ID:	338827
PubChem CID:	127259838
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	337.077265
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	11.16
IP(EA), eV:	-8.65(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-3-hydroxy-4-[(4-phenoxyanilino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/C(=C\2/C=CC(=O)C=C2O)/S

DOS

IR

Vibrations