Geometry & MOs

Info

ID:	350148
PubChem CID:	127277226
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-145.54
Dipole, Da:	7.03
IP(EA), eV:	-8.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2CCCN2S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations