Geometry & MOs

Info

ID:

187136

PubChem CID:

77534558

Reduced:

N5O10C27H45 (1)

Stoich.:

A5B10C27D45 (1)

Weight, g/mol:

757.316113

ΔHf, kcal/mol:

-468.96

Dipole, Da:

5.21

IP(EA), eV:

 -9.79(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[(1-acetyl-2,3-dihydroindol-2-yl)methoxy]-3-tert-butylsulfanyl-1-[[4-[5-(trifluoromethyl)pyridin-2-yl]phenyl]methyl]indol-2-yl]methyl]-2-ethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCC(OCC=CCOCC(C(=O)NC(C(=O)N1)(C)C)NC(=O)OC(C)(C)C)C(=O)NCC(=O)OC

DOS

IR

Vibrations