Geometry & MOs

Info

ID:	415615
PubChem CID:	135088614
Reduced:	FSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-209.87
Dipole, Da:	2.99
IP(EA), eV:	-9.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[[2-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations