Geometry & MOs

Info

ID:	14120
PubChem CID:	404955
Reduced:	OSCl2N4H20C25 (1)
Stoich.:	ABC2D4E20F25 (1)
Weight, g/mol:	494.073488
ΔH_f, kcal/mol:	63.76
Dipole, Da:	5.85
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carboximidothioic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC(=C(C=C3)Cl)Cl)N)C(=NC4=CC=CC=C4)S

DOS

IR

Vibrations