Geometry & MOs

Info

ID:	271808
PubChem CID:	103692903
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	360.091056
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	3.69
IP(EA), eV:	-8.86(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloropyridin-4-yl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1CC(C2)NC3CCC=CC3

DOS

IR

Vibrations