Geometry & MOs

Info

ID:	414917
PubChem CID:	135087889
Reduced:	SN4O4C15H24 (1)
Stoich.:	AB4C4D15E24 (1)
Weight, g/mol:	361.080489
ΔH_f, kcal/mol:	-141.54
Dipole, Da:	6.61
IP(EA), eV:	-9.42(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=NNC3=C2CCCC3

DOS

IR

Vibrations