Geometry & MOs

Info

ID:	350152
PubChem CID:	127277230
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	3.73
IP(EA), eV:	-8.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-methyl-3,5-dihydro-2H-1,4-benzodiazepine

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4

DOS

IR

Vibrations