Geometry & MOs

Info

ID:	327093
PubChem CID:	126688986
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	465.166867
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	2.95
IP(EA), eV:	-8.86(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)-3-(2,2-dimethylpropanoyloxymethoxycarbonylsulfanyl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)OC(=O)C2CCCC=N2)C

DOS

IR

Vibrations