Geometry & MOs

Info

ID:	172833
PubChem CID:	75558975
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	415.135448
ΔH_f, kcal/mol:	-73.05
Dipole, Da:	8.3
IP(EA), eV:	-9.1(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(N3C)C)C(=O)NC2=O

DOS

IR

Vibrations