Geometry & MOs

Info

ID:

397701

PubChem CID:

135030592

Reduced:

SN2O2C44H44 (1)

Stoich.:

AB2C2D44E44 (1)

Weight, g/mol:

455.173273

ΔHf, kcal/mol:

126.24

Dipole, Da:

7.27

IP(EA), eV:

 -6.69(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[3-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methoxy]-2-methylbenzoyl]-2-methylindol-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1[C@H](N(CC2=CC(=CC=C2)CN([C@@H](COCC3=CC=C(S3)CO1)C4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations