Geometry & MOs

Info

ID:	375864
PubChem CID:	134221858
Reduced:	FN2O6C32H35 (1)
Stoich.:	AB2C6D32E35 (1)
Weight, g/mol:	455.209658
ΔH_f, kcal/mol:	-254.14
Dipole, Da:	6.76
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C=NC=C3)OC)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations