Geometry & MOs

Info

ID:	172058
PubChem CID:	75460607
Reduced:	SO2N6C20H24 (1)
Stoich.:	AB2C6D20E24 (1)
Weight, g/mol:	403.097977
ΔH_f, kcal/mol:	95.45
Dipole, Da:	2.47
IP(EA), eV:	-8.74(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(C2CCC1(/C(=N\N=C\C3=CC(=C(C=C3)SC4=NN=CN4C)[N+](=O)[O-])/C2)C)C

DOS

IR

Vibrations