Geometry & MOs

Info

ID:	443644
PubChem CID:	135259648
Reduced:	NSO5H19C23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	394.087495
ΔH_f, kcal/mol:	-103.96
Dipole, Da:	5.86
IP(EA), eV:	-9.13(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]chromen-2-one

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)C(=O)OCC2=CC=CS2)C3=CC(=O)OC4=CC=CC=C43

DOS

IR

Vibrations