Geometry & MOs

Info

ID:	62858
PubChem CID:	26737304
Reduced:	OCl2N3H7C13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	350.083747
ΔH_f, kcal/mol:	40.65
Dipole, Da:	5.7
IP(EA), eV:	-9.7(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanophenyl)-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(=CC(=C1)NC(=O)C2=CC(=NC(=C2)Cl)Cl)C#N

DOS

IR

Vibrations