Geometry & MOs

Info

ID:	302180
PubChem CID:	124360317
Reduced:	BrO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	423.179421
ΔH_f, kcal/mol:	-1.08
Dipole, Da:	3.9
IP(EA), eV:	-8.98(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1S,2R,6R,7S,8R,12R)-10-tert-butyl-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-en-5-yl]-2-methoxyphenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC1=CC=CC=C1Br)N2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations