Geometry & MOs

Info

ID:

449416

PubChem CID:

135298412

Reduced:

O3N4C25H33 (2)

Stoich.:

A3B4C25D33 (2)

Weight, g/mol:

275.189672

ΔHf, kcal/mol:

-166.46

Dipole, Da:

8.2

IP(EA), eV:

 -8.46(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-fluoro-2,2,3,5,5-pentamethyl-4-oxohexan-3-yl) N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CC1(CC1)C(C)(C(=O)N[C@H](C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@H](C(C)(C)C)NC(=O)C(C)(C6(CC6)C)OC(=O)N7CCC7)C(C)(C)C)OC(=O)N8CCC8

DOS

IR

Vibrations