Geometry & MOs

Info

ID:	359606
PubChem CID:	127298880
Reduced:	SO3N6C17H22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	374.11611
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	5.83
IP(EA), eV:	-8.81(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCNC(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations