Geometry & MOs

Info

ID:	79815
PubChem CID:	49830571
Reduced:	SN3O3H17C20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	560.242356
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	3.93
IP(EA), eV:	-8.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-4-[3-[2-(4-morpholin-4-ylphenoxy)ethyl]-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-9-yl]phenyl]acetonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1C2=CC3=C(C=C2)C(=O)NC4=CC=CC=C4N3

DOS

IR

Vibrations