Geometry & MOs

Info

ID:	360153
PubChem CID:	127300733
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-42.02
Dipole, Da:	9.84
IP(EA), eV:	-9.58(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-[2-(2-methylpropyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)CC1CCCN1C(=O)C2=CC3=C(C=C2)N4C(=NS3(=O)=O)N=CN4

DOS

IR

Vibrations