Geometry & MOs

Info

ID:	77393
PubChem CID:	48428218
Reduced:	SO2N4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	384.136845
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	5.32
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-oxo-3-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C(=O)N2CCCN(CC2)C3=NC=CS3

DOS

IR

Vibrations