Geometry & MOs

Info

ID:	418373
PubChem CID:	135104392
Reduced:	FSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	384.154603
ΔH_f, kcal/mol:	-197.27
Dipole, Da:	8.31
IP(EA), eV:	-9.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations