Geometry & MOs

Info

ID:	305360
PubChem CID:	124772162
Reduced:	FNO3C18H24 (1)
Stoich.:	ABC3D18E24 (1)
Weight, g/mol:	456.93473
ΔH_f, kcal/mol:	-189.1
Dipole, Da:	4.54
IP(EA), eV:	-9.6(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)OC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations