Geometry & MOs

Info

ID:	124094
PubChem CID:	50872356
Reduced:	N2O4H12C17 (1)
Stoich.:	A2B4C12D17 (1)
Weight, g/mol:	447.10665
ΔH_f, kcal/mol:	-66.73
Dipole, Da:	5.5
IP(EA), eV:	-9.2(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=CC=C3)C(=O)O)/C(=O)N2

DOS

IR

Vibrations