Geometry & MOs

Info

ID:	310623
PubChem CID:	126583915
Reduced:	OSF2C20H20 (1)
Stoich.:	ABC2D20E20 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	2.88
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-nitro-5-phenyl-1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C=COC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)S)F)F

DOS

IR

Vibrations