Geometry & MOs

Info

ID:	255764
PubChem CID:	103134607
Reduced:	NSO4C12H21 (1)
Stoich.:	ABC4D12E21 (1)
Weight, g/mol:	333.160994
ΔH_f, kcal/mol:	-205.83
Dipole, Da:	7.21
IP(EA), eV:	-8.93(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-methyloxolan-2-yl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)CSCCC(C(=O)O)NC(=O)C

DOS

IR

Vibrations