Geometry & MOs

Info

ID:	238577
PubChem CID:	92741972
Reduced:	SN4O4C22H32 (1)
Stoich.:	AB4C4D22E32 (1)
Weight, g/mol:	461.234828
ΔH_f, kcal/mol:	-165.62
Dipole, Da:	4.87
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1S,2R)-2-methylcyclohexyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C

DOS

IR

Vibrations