Geometry & MOs

Info

ID:	179486
PubChem CID:	76489668
Reduced:	PSSiN2O7C39H47 (1)
Stoich.:	ABCD2E7F39G47 (1)
Weight, g/mol:	126.025169
ΔH_f, kcal/mol:	-255.39
Dipole, Da:	9.19
IP(EA), eV:	-8.57(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-prop-1-enyl-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(N(C1=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC=C)SC(=O)CNC(=O)OCC=C

DOS

IR

Vibrations