Geometry & MOs

Info

ID:	308034
PubChem CID:	125312359
Reduced:	SN3O6C21H27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-237.75
Dipole, Da:	8.09
IP(EA), eV:	-9.52(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-1-benzhydryl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol

Drug info:

PubChemData

Smile

CC1([C@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@H](C3=CC=C(C=C3)O)NC(=O)C(C)(C)C)C(=O)O)C

DOS

IR

Vibrations