Geometry & MOs

Info

ID:	244872
PubChem CID:	99431525
Reduced:	F3N3O3H20C21 (1)
Stoich.:	A3B3C3D20E21 (1)
Weight, g/mol:	490.103783
ΔH_f, kcal/mol:	-230.51
Dipole, Da:	1.95
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@](CCNC(=O)CCN2C=NC3=CC=CC=C3C2=O)(C(F)(F)F)O

DOS

IR

Vibrations