Geometry & MOs

Info

ID:	414550
PubChem CID:	135087509
Reduced:	S2N3O6C12H21 (1)
Stoich.:	A2B3C6D12E21 (1)
Weight, g/mol:	349.119319
ΔH_f, kcal/mol:	-205.25
Dipole, Da:	4.23
IP(EA), eV:	-9.64(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-[2-(1-methylpyrrolidin-2-yl)ethylamino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations