Geometry & MOs

Info

ID:	371505
PubChem CID:	127346721
Reduced:	ClSN3O3C18H26 (1)
Stoich.:	ABC3D3E18F26 (1)
Weight, g/mol:	341.185175
ΔH_f, kcal/mol:	-115.28
Dipole, Da:	9.97
IP(EA), eV:	-9.2(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCN(C2)C(=O)CCNS(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations