Geometry & MOs

Info

ID:	258370
PubChem CID:	103153263
Reduced:	SN3O5C11H15 (1)
Stoich.:	AB3C5D11E15 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-186.81
Dipole, Da:	6.12
IP(EA), eV:	-9.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(3-pyridin-4-ylpropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)C(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations