Geometry & MOs

Info

ID:	129144
PubChem CID:	51071324
Reduced:	FN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	525.266128
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	7.08
IP(EA), eV:	-9.57(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC[C@H]2C(=O)NCCCNC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations