Geometry & MOs

Info

ID:	397878
PubChem CID:	135030891
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	312.082016
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	2.69
IP(EA), eV:	-9.58(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-methoxyphenyl)-2H-thiochromene-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@H](COC1C=O)CC2=CC=CC=C2

DOS

IR

Vibrations