Geometry & MOs

Info

ID:	199070
PubChem CID:	79194171
Reduced:	SN2O5H10C11 (1)
Stoich.:	AB2C5D10E11 (1)
Weight, g/mol:	168.089878
ΔH_f, kcal/mol:	-123.5
Dipole, Da:	7.51
IP(EA), eV:	-10.04(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyano-3-(oxolan-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)NC#N

DOS

IR

Vibrations