Geometry & MOs

Info

ID:	27054
PubChem CID:	813925
Reduced:	SO2N3C18H27 (1)
Stoich.:	AB2C3D18E27 (1)
Weight, g/mol:	214.085461
ΔH_f, kcal/mol:	-80.27
Dipole, Da:	6.88
IP(EA), eV:	-9.15(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9-dimethyl-6H-[1,2,5]oxadiazolo[3,4-g][1,5]benzodiazepine

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CN(C2CCCCC2)C(=O)C3CCC3)C

DOS

IR

Vibrations