Geometry & MOs

Info

ID:

317209

PubChem CID:

126633262

Reduced:

FN4O5C45H47 (1)

Stoich.:

AB4C5D45E47 (1)

Weight, g/mol:

611.243164

ΔHf, kcal/mol:

-40.31

Dipole, Da:

6.17

IP(EA), eV:

 -8.12(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(18-fluoro-4-methyl-21,24,27-trioxa-5,7,8-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-1(30),2,4,6(34),8,10,12,14(33),15(20),16,18,28,31-tridecaen-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C1=C2C3=CC(=C(C=C3)C)OCCN(CCOC4=C(C=CC(=C4)F)C5=CC(=CC=C5)C6=NN2C(=C6)N=C1C)CC7=CC=CC=C7)OC(C)(C)C

DOS

IR

Vibrations