Geometry & MOs

Info

ID:	25839
PubChem CID:	631625
Reduced:	BrNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	565.301267
ΔH_f, kcal/mol:	-78.51
Dipole, Da:	4.32
IP(EA), eV:	-9.16(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-oxo-4-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethylamino]butyl]carbamate

Drug info:

PubChemData

Smile

C1CC(=O)C2C34C1C(CC5=C(C(=CC(=C53)O2)O)Br)NCC4

DOS

IR

Vibrations