Geometry & MOs

Info

ID:	448323
PubChem CID:	135290118
Reduced:	BrOC7H15 (1)
Stoich.:	ABC7D15 (1)
Weight, g/mol:	500.155906
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	3.75
IP(EA), eV:	-10.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3,3-dimethyl-15-oxo-9-phenylmethoxy-10-(trifluoromethoxy)-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H](OC(C)(C)C)Br

DOS

IR

Vibrations