Geometry & MOs

Info

ID:	31534
PubChem CID:	855839
Reduced:	SO2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	320.109568
ΔH_f, kcal/mol:	15.54
Dipole, Da:	9.56
IP(EA), eV:	-8.91(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-6,8-dimethyl-1H-[1,2,4]triazino[5,6-b]indole

Drug info:

PubChemData

Smile

CC1=CC2=C3C(=NC(=NN3)SCC(=O)O)N=C2C(=C1)C

DOS

IR

Vibrations