Geometry & MOs

Info

ID:	188222
PubChem CID:	77683144
Reduced:	F2N2O3C30H30 (1)
Stoich.:	A2B2C3D30E30 (1)
Weight, g/mol:	431.129964
ΔH_f, kcal/mol:	-132.34
Dipole, Da:	7.19
IP(EA), eV:	-9.22(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 2-[1-(4-chlorobenzoyl)-4-fluoro-5-hydroxy-2-methylindol-3-yl]propanoate

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(C2CC(NC2)C3C(NC(=O)O3)CC4=CC(=CC(=C4)F)F)C5=CC=CC=C5

DOS

IR

Vibrations