Geometry & MOs

Info

ID:	226131
PubChem CID:	87325861
Reduced:	N3O5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	220.088164
ΔH_f, kcal/mol:	-106.59
Dipole, Da:	8.96
IP(EA), eV:	-9.23(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-acetamidosulfanyl-3-methyl-2-(methylamino)butanoic acid

Drug info:

PubChemData

Smile

CCCCO/N=C/C1=CC2=CC3=C(C4=CC5=C(COC(=O)[C@@]5(CC)O)C(=O)N4C3)N=C2C=C1

DOS

IR

Vibrations