Geometry & MOs

Info

ID:	160294
PubChem CID:	57309641
Reduced:	SN5O5C14H19 (1)
Stoich.:	AB5C5D14E19 (1)
Weight, g/mol:	454.156243
ΔH_f, kcal/mol:	-141.87
Dipole, Da:	11.16
IP(EA), eV:	-8.59(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2R,4S)-2-[[2-(acetyloxymethyl)pyridin-4-yl]methyl]-4-benzoylsulfanylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC=CCSC1=NC2=C(N1[C@H]3C(C([C@H](O3)CO)O)O)NC(=NC2=O)N

DOS

IR

Vibrations