Geometry & MOs

Info

ID:	324433
PubChem CID:	126677666
Reduced:	NC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	231.092915
ΔH_f, kcal/mol:	17.63
Dipole, Da:	3.8
IP(EA), eV:	-11.05(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-hydroxy-N-(2-oxopropyl)-7-sulfanylhept-4-enamide

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)C1CC1

DOS

IR

Vibrations