Geometry & MOs

Info

ID:

297697

PubChem CID:

117626082

Reduced:

O2F3N9C20H24 (1)

Stoich.:

A2B3C9D20E24 (1)

Weight, g/mol:

653.382872

ΔHf, kcal/mol:

-161.2

Dipole, Da:

6.38

IP(EA), eV:

 -8.38(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[(2-methylpropan-2-yl)oxy]-2-(4,17,23,28-tetramethyl-21,27-dioxa-1,6,34-triazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,7,9(34),10,12,14(33),15(20),16,18-decaen-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CN(N=C12)C(C)(C)C)NC3=C(N=NC(=N3)N[C@@H](CC(F)(F)F)C(=O)N)C(=O)N

DOS

IR

Vibrations