Geometry & MOs

Info

ID:	310631
PubChem CID:	126584015
Reduced:	FSO3N4C19H25 (1)
Stoich.:	ABC3D4E19F25 (1)
Weight, g/mol:	335.065924
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	1.5
IP(EA), eV:	-8.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-chloro-5-(6-fluoro-1H-indol-3-yl)phenyl]sulfanylethane-1,2-diamine

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]3CCN=[S@@]3C(C(=N1)NC(=O)OC(NC4=CC2=C(C=C4)F)(C)C)(C)OC

DOS

IR

Vibrations