Geometry & MOs

Info

ID:	310659
PubChem CID:	126584140
Reduced:	SF3O5N6C26H31 (1)
Stoich.:	AB3C5D6E26F31 (1)
Weight, g/mol:	234.100442
ΔH_f, kcal/mol:	-260.25
Dipole, Da:	5.36
IP(EA), eV:	-8.9(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methyl-4-nitro-1H-indol-3-yl)propan-1-ol

Drug info:

PubChemData

Smile

C[C@]1([C@@H]2CCN=S2(=O)C(C(=N1)NC(=O)OC(C)(C)C)(C)C)C3=C(C=CC(=C3)NC(=O)C4=CN=C(C=N4)OC(F)F)F

DOS

IR

Vibrations