Geometry & MOs

Info

ID:	350151
PubChem CID:	127277229
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-47.4
Dipole, Da:	1.5
IP(EA), eV:	-8.48(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)sulfonyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)NC4CC4

DOS

IR

Vibrations