Geometry & MOs

Info

ID:	85772
PubChem CID:	49879006
Reduced:	N2S2O5C13H16 (1)
Stoich.:	A2B2C5D13E16 (1)
Weight, g/mol:	458.126006
ΔH_f, kcal/mol:	-182.57
Dipole, Da:	3.45
IP(EA), eV:	-9.52(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione

Drug info:

PubChemData

Smile

CN1C2=C(C=CC(=C2)S(=O)(=O)N(C)C)SC(C1=O)CC(=O)O

DOS

IR

Vibrations