Geometry & MOs

Info

ID:	229805
PubChem CID:	87569125
Reduced:	SN2O3H18C19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	525.189986
ΔH_f, kcal/mol:	6.25
Dipole, Da:	3.48
IP(EA), eV:	-9.08(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-benzodioxol-5-yl)-3-(cyclopropylamino)-3-oxoprop-1-enyl]-N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=CC=C(C=C2)/C=C/C(=O)NO)/C3=CSC=C3

DOS

IR

Vibrations