Geometry & MOs

Info

ID:	64282
PubChem CID:	29198860
Reduced:	N3O4C19H25 (1)
Stoich.:	A3B4C19D25 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-86.09
Dipole, Da:	3.79
IP(EA), eV:	-8.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations