Geometry & MOs

Info

ID:	52155
PubChem CID:	12014949
Reduced:	O2Cl4H4C5 (1)
Stoich.:	A2B4C4D5 (1)
Weight, g/mol:	349.098394
ΔH_f, kcal/mol:	-95.31
Dipole, Da:	1.97
IP(EA), eV:	-10.87(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-prop-2-enoyloxyethoxy)ethyl 3-phenyl-2-thiocyanatopropanoate

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C(Cl)(Cl)Cl)\Cl

DOS

IR

Vibrations