Geometry & MOs

Info

ID:	376194
PubChem CID:	134222199
Reduced:	NOC25H33 (1)
Stoich.:	ABC25D33 (1)
Weight, g/mol:	512.070374
ΔH_f, kcal/mol:	-50.54
Dipole, Da:	4.97
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3,5-dichloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC(/C=C/C1=CC(=C(C=C1)C(=O)NC(C)C)C)C2=CC(=C(C(=C2)C)C)C

DOS

IR

Vibrations