Geometry & MOs

Info

ID:	242527
PubChem CID:	97301856
Reduced:	ClSN3O3C13H20 (1)
Stoich.:	ABC3D3E13F20 (1)
Weight, g/mol:	436.191756
ΔH_f, kcal/mol:	-110.96
Dipole, Da:	4.66
IP(EA), eV:	-9.12(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-(2-chlorophenyl)-1-pyridin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)S(=O)(=O)N)Cl

DOS

IR

Vibrations