Geometry & MOs

Info

ID:	81822
PubChem CID:	49855211
Reduced:	NSO7H19C20 (1)
Stoich.:	ABC7D19E20 (1)
Weight, g/mol:	330.121572
ΔH_f, kcal/mol:	-216.84
Dipole, Da:	12.51
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-methoxyphenyl)methylidene]-1-(oxolan-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)OCC(=O)O

DOS

IR

Vibrations