Geometry & MOs

Info

ID:	283703
PubChem CID:	103999957
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	260.119464
ΔH_f, kcal/mol:	-121.38
Dipole, Da:	3.86
IP(EA), eV:	-9.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-(2-prop-2-enylsulfanylethylcarbamoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCN1CC2=C(C1)C=C(C=C2)C(=O)O

DOS

IR

Vibrations