Geometry & MOs

Info

ID:	68856
PubChem CID:	46509480
Reduced:	SN4O4H22C24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	476.17475
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	4.32
IP(EA), eV:	-9.0(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(S4)CNC(=O)C)C

DOS

IR

Vibrations