Geometry & MOs

Info

ID:	425399
PubChem CID:	135126193
Reduced:	BrSF4N4O4H19C24 (1)
Stoich.:	ABC4D4E4F19G24 (1)
Weight, g/mol:	233.116427
ΔH_f, kcal/mol:	-266.29
Dipole, Da:	9.26
IP(EA), eV:	-9.07(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(5-hydroxy-1H-indol-3-yl)-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

C1[C@@]([C@H]([C@@H](O1)C(F)(F)F)COC(=O)N2C=CN=C2)(C3=C(C=CC(=C3)Br)F)NC(=S)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations