Geometry & MOs

Info

ID:	70052
PubChem CID:	47207205
Reduced:	ClNSO3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	246.067428
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	4.16
IP(EA), eV:	-9.36(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=NC=C(O1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations