Geometry & MOs

Info

ID:	294375
PubChem CID:	117454811
Reduced:	SCl2O4H8C9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	282.00039
ΔH_f, kcal/mol:	-147.65
Dipole, Da:	6.95
IP(EA), eV:	-9.23(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(3-amino-2H-1,2-oxazol-5-ylidene)-4-bromo-2,5-dimethylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Cl)CS(=O)(=O)Cl

DOS

IR

Vibrations