Geometry & MOs

Info

ID:	302947
PubChem CID:	124403816
Reduced:	N2O3C26H36 (1)
Stoich.:	A2B3C26D36 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-109.62
Dipole, Da:	3.91
IP(EA), eV:	-8.17(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)[C@@H](C)NC(=O)C2=CC=C(C=C2)CN3CCC[C@@H](C3)C)OCC

DOS

IR

Vibrations