Geometry & MOs

Info

ID:	72628
PubChem CID:	48416376
Reduced:	O2S2N4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	356.159689
ΔH_f, kcal/mol:	-30.88
Dipole, Da:	7.37
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]ethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CSC=C2)C(=O)N3CCCC(C3)N4CCNC4=O

DOS

IR

Vibrations