Geometry & MOs

Info

ID:	38279
PubChem CID:	8029002
Reduced:	NO5H21C22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	334.077599
ΔH_f, kcal/mol:	-168.73
Dipole, Da:	4.08
IP(EA), eV:	-9.04(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(2H-chromen-3-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2O)O)CC(=O)N[C@@H]3CCCC4=CC=CC=C34

DOS

IR

Vibrations