Geometry & MOs

Info

ID:	418291
PubChem CID:	135104078
Reduced:	NOC11H18 (2)
Stoich.:	ABC11D18 (2)
Weight, g/mol:	385.155909
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	4.49
IP(EA), eV:	-8.49(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-(5-methoxy-2,4-dimethylphenyl)sulfonyl-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)CN(C)C2C[C@H]3CC(C[C@H]3C2)N(C)C)CO

DOS

IR

Vibrations