Geometry & MOs

Info

ID:	184017
PubChem CID:	77102201
Reduced:	NSO4C10H17 (1)
Stoich.:	ABC4D10E17 (1)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	-165.37
Dipole, Da:	4.72
IP(EA), eV:	-9.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-ethyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCN1CCS(=O)(=O)CC1)C(=O)O

DOS

IR

Vibrations