Geometry & MOs

Info

ID:	33922
PubChem CID:	7888756
Reduced:	SN3O5H15C18 (1)
Stoich.:	AB3C5D15E18 (1)
Weight, g/mol:	325.111422
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	8.92
IP(EA), eV:	-9.37(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluorophenyl)-4-oxobutyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations