Geometry & MOs

Info

ID:	370965
PubChem CID:	127341591
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-16.07
Dipole, Da:	4.29
IP(EA), eV:	-9.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC1CC2NS(=O)(=O)C3=CN(N=C3)CC4=CC=CC=C4

DOS

IR

Vibrations