Geometry & MOs

Info

ID:	55163
PubChem CID:	17389841
Reduced:	SO2N6C14H16 (1)
Stoich.:	AB2C6D14E16 (1)
Weight, g/mol:	320.105545
ΔH_f, kcal/mol:	7.65
Dipole, Da:	6.83
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N,N-diethyl-5H-[1,2,4]triazino[5,6-b]indole-8-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC4=C3N=NC(=N4)N

DOS

IR

Vibrations