Geometry & MOs

Info

ID:	258422
PubChem CID:	103153692
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	315.114044
ΔH_f, kcal/mol:	-82.44
Dipole, Da:	6.18
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-(2-propylsulfonylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NCC(CC(=O)O)OC)C#N

DOS

IR

Vibrations