Geometry & MOs

Info

ID:	227351
PubChem CID:	87561435
Reduced:	NSO4C28H33 (1)
Stoich.:	ABC4D28E33 (1)
Weight, g/mol:	642.131344
ΔH_f, kcal/mol:	-137.59
Dipole, Da:	2.94
IP(EA), eV:	-8.22(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2-cyano-5-[[2-methoxy-6-methyl-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)phenyl]carbamoyl]phenyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC2=C(S1)C=C3C=CC=CC3=CC2=C4CCN(CC4)C(=O)OC(C)(C)C

DOS

IR

Vibrations