Geometry & MOs

Info

ID:	406171
PubChem CID:	135076741
Reduced:	MgNSBr2O5C15H15 (1)
Stoich.:	ABCD2E5F15G15 (1)
Weight, g/mol:	374.24571
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	3.84
IP(EA), eV:	-9.03(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,5S,7S,14S,15S,17S)-14-acetyl-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadecan-5-yl] acetate

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@H](S1(=O)=O)[C-](C2=O)Br)C(=O)OCC3=CC=CC=C3)C.[Mg+2].[Br-]

DOS

IR

Vibrations