Geometry & MOs

Info

ID:	397929
PubChem CID:	135031028
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	371.082744
ΔH_f, kcal/mol:	-75.19
Dipole, Da:	2.45
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-ethoxy-2-(3-nitrophenyl)-2H-thiochromene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C(C2=O)(OC)OC)C

DOS

IR

Vibrations