Geometry & MOs

Info

ID:	229150
PubChem CID:	87567067
Reduced:	ClO2F4N4H21C23 (1)
Stoich.:	AB2C4D4E21F23 (1)
Weight, g/mol:	496.128916
ΔH_f, kcal/mol:	-209.48
Dipole, Da:	4.67
IP(EA), eV:	-9.65(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1R)-3-(5-chloropyrazin-2-yl)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]propyl]amino]-N-methyl-2-phenylacetamide

Drug info:

PubChemData

Smile

CNC(=O)[C@H](C1=CC=CC=C1)N[C@@H](CCC2=CN=C(C=N2)Cl)C3=CC(=C(C=C3)F)OC(F)(F)F

DOS

IR

Vibrations