Geometry & MOs

Info

ID:

182534

PubChem CID:

76901469

Reduced:

SN2F3O5H13C16 (1)

Stoich.:

AB2C3D5E13F16 (1)

Weight, g/mol:

488.161518

ΔHf, kcal/mol:

-298.19

Dipole, Da:

8.84

IP(EA), eV:

 -9.11(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(16S)-N-(4-chlorophenyl)-N-methyl-9,14-dioxo-5,10,15-triazatetracyclo[16.3.1.04,12.06,11]docosa-1(22),4(12),6(11),7,18,20-hexaene-16-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NS(=O)(=O)C1=CC(=C(C=C1)F)C(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations