Geometry & MOs

Info

ID:	17159
PubChem CID:	486465
Reduced:	OSCl3N3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	386.976666
ΔH_f, kcal/mol:	1.44
Dipole, Da:	3.99
IP(EA), eV:	-8.95(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-(4-chlorophenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(C(=O)N)N=C(NC2=CC=C(C=C2)Cl)S)Cl

DOS

IR

Vibrations