Geometry & MOs

Info

ID:	423068
PubChem CID:	135118867
Reduced:	O2N6C23H30 (1)
Stoich.:	A2B6C23D30 (1)
Weight, g/mol:	359.086115
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	3.37
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C4=NC=CC(=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations