Geometry & MOs

Info

ID:	375941
PubChem CID:	134221937
Reduced:	BrO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	596.249807
ΔH_f, kcal/mol:	-67.03
Dipole, Da:	4.85
IP(EA), eV:	-8.38(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[6-methyl-1-(6-methylpyridine-3-carbonyl)-4-[5-methyl-8-(trifluoromethyl)-3,4-dihydro-2H-chromen-6-yl]-2,3-dihydroindol-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C2=C1CCCO2)OC)Br

DOS

IR

Vibrations