Geometry & MOs

Info

ID:	360917
PubChem CID:	127301623
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	336.089226
ΔH_f, kcal/mol:	-155.72
Dipole, Da:	6.48
IP(EA), eV:	-9.94(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CCCC3)C

DOS

IR

Vibrations