Geometry & MOs

Info

ID:	62875
PubChem CID:	26737406
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	332.002241
ΔH_f, kcal/mol:	-81.83
Dipole, Da:	5.89
IP(EA), eV:	-8.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(3-chlorophenyl)-5-(furan-3-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)[C@H]3CCC=CC3

DOS

IR

Vibrations