Geometry & MOs

Info

ID:	48611
PubChem CID:	11109937
Reduced:	SO7C13H18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-284.48
Dipole, Da:	7.53
IP(EA), eV:	-10.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-2-[(2R)-1,1-dimethoxy-2-phenylmethoxypropan-2-yl]pyrrolidin-1-yl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2[C@H]([C@@H](CO[C@@H]2OC)O)O

DOS

IR

Vibrations