Geometry & MOs

Info

ID:	62374
PubChem CID:	26719648
Reduced:	SCl2N3O3H11C15 (1)
Stoich.:	AB2C3D3E11F15 (1)
Weight, g/mol:	393.010553
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	7.05
IP(EA), eV:	-9.24(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NS2(=O)=O)NCC(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations