Geometry & MOs

Info

ID:	421211
PubChem CID:	135115564
Reduced:	O2N3C24H25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	366.122714
ΔH_f, kcal/mol:	-29.04
Dipole, Da:	3.16
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,4S)-3,4-bis(hydroxymethyl)pyrrolidin-1-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C=N2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations