Geometry & MOs

Info

ID:	372834
PubChem CID:	131305676
Reduced:	ClNSF3O4H5C7 (1)
Stoich.:	ABCD3E4F5G7 (1)
Weight, g/mol:	170.094294
ΔH_f, kcal/mol:	-305.92
Dipole, Da:	3.27
IP(EA), eV:	-10.07(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)S(=O)(=O)Cl)OC(F)(F)F

DOS

IR

Vibrations