Geometry & MOs

Info

ID:	162682
PubChem CID:	57551415
Reduced:	FO2N4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	479.222035
ΔH_f, kcal/mol:	-56.57
Dipole, Da:	4.77
IP(EA), eV:	-8.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethylcarbamoyl]-1H-indol-6-yl]oxy]butanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations