Geometry & MOs

Info

ID:	338833
PubChem CID:	127259844
Reduced:	SN2O2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	306.96665
ΔH_f, kcal/mol:	75.09
Dipole, Da:	6.63
IP(EA), eV:	-8.83(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)/C=C/[N+](=O)[O-]

DOS

IR

Vibrations