Geometry & MOs

Info

ID:	216686
PubChem CID:	85086608
Reduced:	SN2O6C10H18 (1)
Stoich.:	AB2C6D10E18 (1)
Weight, g/mol:	292.109944
ΔH_f, kcal/mol:	-260.96
Dipole, Da:	4.81
IP(EA), eV:	-9.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-ethylideneisochromen-3-yl)benzoate

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=S)C(C(CO)O)OC(CO)CO

DOS

IR

Vibrations