Geometry & MOs

Info

ID:	410895
PubChem CID:	135083696
Reduced:	NOSC9H19 (1)
Stoich.:	ABCD9E19 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	2.83
IP(EA), eV:	-8.09(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-but-2-ynoxybut-2-enoate

Drug info:

PubChemData

Smile

CCC/C(=N/[S@@](=O)C(C)(C)C)/C

DOS

IR

Vibrations