Geometry & MOs

Info

ID:	123617
PubChem CID:	50855991
Reduced:	NH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	369.114713
ΔH_f, kcal/mol:	94.17
Dipole, Da:	4.62
IP(EA), eV:	-8.44(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1,5-dimethylpyrrol-2-yl)methylidene]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)C=NC3=CC=CC=C3

DOS

IR

Vibrations