Geometry & MOs

Info

ID:	258264
PubChem CID:	103152403
Reduced:	OSN3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	351.009884
ΔH_f, kcal/mol:	-25.05
Dipole, Da:	2.71
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN(C)CCC(CN)OC

DOS

IR

Vibrations