Geometry & MOs

Info

ID:	182195
PubChem CID:	76857184
Reduced:	SN2O2F3H11C15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	387.01399
ΔH_f, kcal/mol:	-146.05
Dipole, Da:	1.95
IP(EA), eV:	-9.38(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-methoxyphenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C=CC(=O)NCC(=O)NC2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations