Geometry & MOs

Info

ID:	310321
PubChem CID:	126578746
Reduced:	ClON3F8H12C21 (1)
Stoich.:	ABC3D8E12F21 (1)
Weight, g/mol:	509.054115
ΔH_f, kcal/mol:	-374.02
Dipole, Da:	2.53
IP(EA), eV:	-10.16(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-chloropyrimidin-5-yl)-2-(trifluoromethyl)phenyl]-2,2-difluoroethyl]-2-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C(F)(F)F)C(=O)NCC(C2=C(C=C(C=C2)C3=CC(=CN=C3)Cl)C(F)(F)F)(F)F

DOS

IR

Vibrations