Geometry & MOs

Info

ID:	416497
PubChem CID:	135089512
Reduced:	NSO6C19H29 (1)
Stoich.:	ABC6D19E29 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-264.34
Dipole, Da:	7.14
IP(EA), eV:	-9.44(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)S(=O)(=O)N2CCC3(CC2)[C@H]([C@](CCO3)(C)O)O)OC

DOS

IR

Vibrations