Geometry & MOs

Info

ID:	227555
PubChem CID:	87561981
Reduced:	Cl2O2N6H20C21 (1)
Stoich.:	A2B2C6D20E21 (1)
Weight, g/mol:	525.093481
ΔH_f, kcal/mol:	-4.76
Dipole, Da:	5.04
IP(EA), eV:	-8.99(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2-ethyl-6-methyl-4-(1,1,1,3,3,4,4,4-octafluoro-2-hydroxybutan-2-yl)phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C1=NC(=C2C(=C1)C=CC=C2Cl)Cl)NC3=C4C(=NC=N3)N(C=N4)C(=O)OC(C)(C)C

DOS

IR

Vibrations