Geometry & MOs

Info

ID:	132786
PubChem CID:	51420871
Reduced:	SN2O8C13H18 (1)
Stoich.:	AB2C8D13E18 (1)
Weight, g/mol:	494.191366
ΔH_f, kcal/mol:	-337.37
Dipole, Da:	4.1
IP(EA), eV:	-9.94(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[(4aS,9bS)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-carbonyl]phenyl]-4-fluoro-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](O[C@@H]([C@@H]2O1)N3C=CC(=O)NC3=O)COS(=O)(=O)C)C

DOS

IR

Vibrations