Geometry & MOs

Info

ID:	271737
PubChem CID:	103690232
Reduced:	NS2O6C16H23 (1)
Stoich.:	AB2C6D16E23 (1)
Weight, g/mol:	257.108565
ΔH_f, kcal/mol:	-245.81
Dipole, Da:	7.64
IP(EA), eV:	-9.23(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pentanoate

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCCSCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations