Geometry & MOs

Info

ID:	244873
PubChem CID:	99431526
Reduced:	Cl2N2F3O3C22H23 (1)
Stoich.:	A2B2C3D3E22F23 (1)
Weight, g/mol:	490.103783
ΔH_f, kcal/mol:	-281.15
Dipole, Da:	2.59
IP(EA), eV:	-9.9(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(2R)-3-methyl-1-oxo-1-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]amino]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCC[C@@](C1=CC=CC=C1)(C(F)(F)F)O)NC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations