Geometry & MOs

Info

ID:	162710
PubChem CID:	57551546
Reduced:	F2N2O2H22C25 (1)
Stoich.:	A2B2C2D22E25 (1)
Weight, g/mol:	454.226786
ΔH_f, kcal/mol:	-118.26
Dipole, Da:	3.02
IP(EA), eV:	-8.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylcarbamoyl]phenoxy]pentanoate

Drug info:

PubChemData

Smile

CC1=C2C(=C(NC2=C(C=C1)F)C)CCNC(=O)C3=CC(=C(C=C3)C4=CC(=CC=C4)O)F

DOS

IR

Vibrations