Geometry & MOs

Info

ID:	375938
PubChem CID:	134221934
Reduced:	ClON4F5H16C21 (1)
Stoich.:	ABC4D5E16F21 (1)
Weight, g/mol:	505.165601
ΔH_f, kcal/mol:	-214.1
Dipole, Da:	7.28
IP(EA), eV:	-9.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chloro-2-methoxybenzoyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(C2=CC(=C(C(=C2)Cl)F)N3C=CC(=NC3=O)N)C(F)(F)F)F)CN

DOS

IR

Vibrations