Geometry & MOs

Info

ID:	416680
PubChem CID:	135090021
Reduced:	ClSO3N5C12H20 (1)
Stoich.:	ABC3D5E12F20 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-105.31
Dipole, Da:	4.23
IP(EA), eV:	-8.98(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)Cl

DOS

IR

Vibrations