Geometry & MOs

Info

ID:	405468
PubChem CID:	135074041
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	352.26136
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	2.93
IP(EA), eV:	-9.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2S,3S)-3-methyl-3-[2-[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]ethyl]oxiran-2-yl]propanoate

Drug info:

PubChemData

Smile

CCO/C(=C(\C1=CC=CC=C1C(=O)C2=CC=C(C=C2)OC)/[N+]#N)/[O-]

DOS

IR

Vibrations