Geometry & MOs

Info

ID:	140865
PubChem CID:	52773924
Reduced:	F2N2O3C22H26 (1)
Stoich.:	A2B2C3D22E26 (1)
Weight, g/mol:	404.191149
ΔH_f, kcal/mol:	-203.66
Dipole, Da:	4.52
IP(EA), eV:	-8.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(2S)-3-methyl-1-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC[C@H](C)NC(=O)[C@@H](C(C)C)NC(=O)C2=C(C=CC=C2F)F

DOS

IR

Vibrations