Geometry & MOs

Info

ID:	64292
PubChem CID:	29198942
Reduced:	BrO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	10.49
Dipole, Da:	3.08
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-N-[(2S)-2-(1H-indol-3-yl)-2-morpholin-4-ylethyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CC(=O)NNC(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations