Geometry & MOs

Info

ID:	334019
PubChem CID:	127252571
Reduced:	SN4O8C39H44 (1)
Stoich.:	AB4C8D39E44 (1)
Weight, g/mol:	460.071366
ΔH_f, kcal/mol:	-171.96
Dipole, Da:	5.12
IP(EA), eV:	-8.52(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[8-(4-chlorophenyl)-5-hydroxy-4-oxo-2-phenylfuro[2,3-h]chromen-9-yl]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=NC(=C(S1)CCC2=CC=CC=C2)C(=O)OC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations