Geometry & MOs

Info

ID:	414793
PubChem CID:	135087756
Reduced:	S2N4O4C11H18 (1)
Stoich.:	A2B4C4D11E18 (1)
Weight, g/mol:	335.128134
ΔH_f, kcal/mol:	-127.13
Dipole, Da:	7.13
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CSC(=N2)N

DOS

IR

Vibrations