Geometry & MOs

Info

ID:	443576
PubChem CID:	135259388
Reduced:	N2O2C7H14 (1)
Stoich.:	A2B2C7D14 (1)
Weight, g/mol:	384.099122
ΔH_f, kcal/mol:	-85.04
Dipole, Da:	3.54
IP(EA), eV:	-9.8(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylperoxy-2-methoxy-8-methyl-11-oxo-5,6,6a,7-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6-sulfonic acid

Drug info:

PubChemData

Smile

CCN(C1CNC1C)C(=O)O

DOS

IR

Vibrations