Geometry & MOs

Info

ID:	415697
PubChem CID:	135088697
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-90.19
Dipole, Da:	3.01
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(4-ethylcyclohexanecarbonyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C(C)C)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations