Geometry & MOs

Info

ID:	43066
PubChem CID:	10318276
Reduced:	O2F3N7H12C16 (1)
Stoich.:	A2B3C7D12E16 (1)
Weight, g/mol:	391.119581
ΔH_f, kcal/mol:	-116.62
Dipole, Da:	8.94
IP(EA), eV:	-9.43(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(E,3R,5S)-7-[3-(4-fluorophenyl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NC2=C(C=C(C=C2)C(=O)N)C3=NNN=N3)C(F)(F)F

DOS

IR

Vibrations