Geometry & MOs

Info

ID:	375993
PubChem CID:	134221992
Reduced:	NF4O5H27C30 (1)
Stoich.:	AB4C5D27E30 (1)
Weight, g/mol:	506.113953
ΔH_f, kcal/mol:	-371.96
Dipole, Da:	5.15
IP(EA), eV:	-8.87(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(3-chloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[1-(6-chloropyridin-3-yl)ethyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations