Geometry & MOs

Info

ID:	396203
PubChem CID:	135027713
Reduced:	FNO3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	485.371638
ΔH_f, kcal/mol:	-120.96
Dipole, Da:	3.19
IP(EA), eV:	-9.48(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(E,10R,11R,12S)-11-hydroxy-8,10,13-trimethyl-12-[(2-methylpropan-2-yl)oxycarbonylamino]tetradec-8-en-7-yl] carbonate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)N(CC=C)C(=O)C(C=C)F

DOS

IR

Vibrations