Geometry & MOs

Info

ID:	124555
PubChem CID:	50887220
Reduced:	SN3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	365.068156
ΔH_f, kcal/mol:	38.92
Dipole, Da:	5.47
IP(EA), eV:	-8.66(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)CC)/C=N/NC(=S)N

DOS

IR

Vibrations