Geometry & MOs

Info

ID:	64295
PubChem CID:	29198960
Reduced:	SCl2N2O5C18H18 (1)
Stoich.:	AB2C2D5E18F18 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-174.88
Dipole, Da:	6.55
IP(EA), eV:	-8.8(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-morpholin-4-ylethyl]-1-naphthalen-1-ylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations