Geometry & MOs

Info

ID:	317381
PubChem CID:	126636941
Reduced:	BrN2O3C18H33 (1)
Stoich.:	AB2C3D18E33 (1)
Weight, g/mol:	461.204967
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	1.91
IP(EA), eV:	-9.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5R,6Z,10S,12E)-9,10,18-trihydroxy-4,5-dimethyl-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(18),6,12,14,16-pentaen-15-yl]propyl N-methylcarbamate

Drug info:

PubChemData

Smile

CCCCO[C@H](CC[C@H]1C(=N[C@@H](C(=N1)OC)C(C)C)OC)CCBr

DOS

IR

Vibrations