Geometry & MOs

Info

ID:	322816
PubChem CID:	126671255
Reduced:	ClS2O6N9C54H60 (1)
Stoich.:	AB2C6D9E54F60 (1)
Weight, g/mol:	290.053019
ΔH_f, kcal/mol:	-120.4
Dipole, Da:	14.92
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethyl-2-fluorophenyl)-2,3,4,5,6-pentafluorobenzene

Drug info:

Smile

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NC4CC(C4)OC5=CC=C(C=C5)CC(=O)NC(C(=O)N6C[C@@H](C[C@H]6C(=O)N[C@@H](C)C7=CC=C(C=C7)C8=C(N=CS8)C)O)C(C)(C)C)C9=CC=C(C=C9)Cl)C

DOS

IR

Vibrations