Geometry & MOs

Info

ID:	380368
PubChem CID:	134970794
Reduced:	LiNSC7H10 (1)
Stoich.:	ABCD7E10 (1)
Weight, g/mol:	250.047738
ΔH_f, kcal/mol:	30.79
Dipole, Da:	7.95
IP(EA), eV:	-7.38(1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-hydroxy-8-methoxy-1-oxoisochromene-3-carboxylate

Drug info:

PubChemData

Smile

[Li+].CN(C)CC1=[C-]SC=C1

DOS

IR

Vibrations