Geometry & MOs

Info

ID:	123635
PubChem CID:	50857399
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	401.137556
ΔH_f, kcal/mol:	-111.67
Dipole, Da:	9.51
IP(EA), eV:	-8.85(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CN1C(=O)/C(=C/C2=CN(C(=C2)C)C3=CC=CC=C3)/SC1=O

DOS

IR

Vibrations