Geometry & MOs

Info

ID:	30035
PubChem CID:	839023
Reduced:	SN2O4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	6.42
IP(EA), eV:	-9.42(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-(2,4-dimethylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(S1)N2C(=O)C=CC2=O)C#N)C

DOS

IR

Vibrations