Geometry & MOs

Info

ID:	120872
PubChem CID:	50747632
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	363.107987
ΔH_f, kcal/mol:	-95.98
Dipole, Da:	5.34
IP(EA), eV:	-8.49(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(furan-2-yl)-8-(2-methoxyphenyl)-2,4,5,6,7,11,12-heptazatricyclo[7.4.0.03,7]trideca-1,3,9,11-tetraen-13-one

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)OCC

DOS

IR

Vibrations