Geometry & MOs

Info

ID:	415503
PubChem CID:	135088499
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	347.086115
ΔH_f, kcal/mol:	-34.99
Dipole, Da:	3.76
IP(EA), eV:	-8.78(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(4-methylthiophen-2-yl)sulfonyl-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)CC2=CC3=C(C=CC(=C3)Cl)OC2

DOS

IR

Vibrations