Geometry & MOs

Info

ID:	320488
PubChem CID:	126661361
Reduced:	NSO2H25C26 (1)
Stoich.:	ABC2D25E26 (1)
Weight, g/mol:	393.171577
ΔH_f, kcal/mol:	2.12
Dipole, Da:	4.82
IP(EA), eV:	-8.96(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-fluoro-2-methyl-3-[4-(trifluoromethyl)phenyl]phenyl]-2-methyl-N-(2-methylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

C=C1CCC(CC1)C2=CC=CC=C2CC(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations