Geometry & MOs

Info

ID:	375985
PubChem CID:	134221984
Reduced:	NF3O4H24C28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	554.97459
ΔH_f, kcal/mol:	-264.0
Dipole, Da:	6.7
IP(EA), eV:	-8.84(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-pentan-3-yl-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C=CC=C3F)F)C(=C1CC(=O)O)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations