Geometry & MOs

Info

ID:	377910
PubChem CID:	134223976
Reduced:	OSN5C11H11 (1)
Stoich.:	ABC5D11E11 (1)
Weight, g/mol:	246.057532
ΔH_f, kcal/mol:	25.2
Dipole, Da:	1.43
IP(EA), eV:	-8.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7-methyl-3-thia-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NN2C3=C1C(=C(S3)C(=O)N)N)C

DOS

IR

Vibrations