Geometry & MOs

Info

ID:	264514
PubChem CID:	103466104
Reduced:	SO2N3C13H25 (1)
Stoich.:	AB2C3D13E25 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	8.9
IP(EA), eV:	-9.24(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-4-methoxy-3-phenylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNS(=O)(=O)C1=CNC(=C1)CNCC

DOS

IR

Vibrations