Geometry & MOs

Info

ID:	224757
PubChem CID:	85349253
Reduced:	ClNSO2C10H18 (1)
Stoich.:	ABCD2E10F18 (1)
Weight, g/mol:	252.064257
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	3.03
IP(EA), eV:	-9.31(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-methoxyphenyl)ethenyl]-1,3-dithiane

Drug info:

PubChemData

Smile

CC(C)C(C(=S)Cl)NC(=O)OC(C)(C)C

DOS

IR

Vibrations