Geometry & MOs

Info

ID:	192912
PubChem CID:	78324157
Reduced:	NO2S2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	359.91836
ΔH_f, kcal/mol:	5.5
Dipole, Da:	3.82
IP(EA), eV:	-8.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=S)NC3=CC=CC=C3S2)OC

DOS

IR

Vibrations