Geometry & MOs

Info

ID:	172834
PubChem CID:	75559076
Reduced:	SO2N3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	417.114713
ΔH_f, kcal/mol:	6.49
Dipole, Da:	4.75
IP(EA), eV:	-8.79(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-5-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(N1C2=CC=CC=C2)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations