Geometry & MOs

Info

ID:	423350
PubChem CID:	135119345
Reduced:	ClSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	349.082934
ΔH_f, kcal/mol:	-164.65
Dipole, Da:	2.35
IP(EA), eV:	-9.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations