Geometry & MOs

Info

ID:	159713
PubChem CID:	57288657
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	382.105253
ΔH_f, kcal/mol:	-135.66
Dipole, Da:	6.71
IP(EA), eV:	-8.58(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,8-trimethoxy-4-oxo-2-(2-phenylethenyl)chromene-6-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)OC[C@@H]1C[C@H](C(=O)N1CCC2=CC=CC3=CC=CC=C32)CC=C

DOS

IR

Vibrations