Geometry & MOs

Info

ID:	27713
PubChem CID:	823212
Reduced:	OSN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	303.974312
ΔH_f, kcal/mol:	64.37
Dipole, Da:	4.97
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-(5-chlorothiophen-2-yl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(=O)SC2)CC#C

DOS

IR

Vibrations