Geometry & MOs

Info

ID:	147231
PubChem CID:	53786885
Reduced:	N3O6C30H47 (1)
Stoich.:	A3B6C30D47 (1)
Weight, g/mol:	449.153991
ΔH_f, kcal/mol:	-270.79
Dipole, Da:	7.55
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(3R)-3-benzyl-7-chloro-1,2,3,5-tetrahydro-1,4-benzodiazepin-4-yl]sulfonyl]ethyl]morpholine

Drug info:

PubChemData

Smile

CCCCN(CCCCN)C(=O)CN1C[C@@H](C([C@@H]1CC(C)(C)C2OCCO2)C(=O)O)C3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations