Geometry & MOs

Info

ID:	338054
PubChem CID:	127258685
Reduced:	NSO7C16H21 (1)
Stoich.:	ABC7D16E21 (1)
Weight, g/mol:	341.0124
ΔH_f, kcal/mol:	-290.57
Dipole, Da:	5.96
IP(EA), eV:	-9.69(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxybutanoyl (2S)-4-iodo-1-methylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC2C[C@H](NC2)C(=O)OC(=O)CC(C)O

DOS

IR

Vibrations