Geometry & MOs

Info

ID:	43961
PubChem CID:	10322467
Reduced:	ClSN3O3C24H24 (1)
Stoich.:	ABC3D3E24F24 (1)
Weight, g/mol:	469.12269
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	6.36
IP(EA), eV:	-8.75(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(5R)-5-(4-chlorophenyl)-2-methyl-1,5-dihydro-2,4-benzodiazepin-3-yl]oxymethyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1CC2=CC=CC=C2[C@@H](N=C1OCC3=CC=C(C=C3)NS(=O)(=O)C)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations