Geometry & MOs

Info

ID:	420785
PubChem CID:	135114809
Reduced:	NS2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	437.117605
ΔH_f, kcal/mol:	-121.52
Dipole, Da:	10.32
IP(EA), eV:	-9.22(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,5S,6R,7R)-3-(6-chloro-1-methylindole-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations