Geometry & MOs

Info

ID:	140864
PubChem CID:	52773484
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	404.191149
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	5.28
IP(EA), eV:	-8.59(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)N[C@@H](C)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations