Geometry & MOs

Info

ID:	338830
PubChem CID:	127259841
Reduced:	NSO2H11C13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	333.118735
ΔH_f, kcal/mol:	-7.35
Dipole, Da:	8.08
IP(EA), eV:	-9.18(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations