Geometry & MOs

Info

ID:	383259
PubChem CID:	134974884
Reduced:	SN2O5C21H32 (1)
Stoich.:	AB2C5D21E32 (1)
Weight, g/mol:	308.155619
ΔH_f, kcal/mol:	-204.05
Dipole, Da:	6.23
IP(EA), eV:	-8.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxo-1-prop-2-ynylpyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCC[C@H]2CCCC(=O)N2N3CCC[C@H]3COC

DOS

IR

Vibrations