Geometry & MOs

Info

ID:	83911
PubChem CID:	49862389
Reduced:	F2N3O4H15C22 (1)
Stoich.:	A2B3C4D15E22 (1)
Weight, g/mol:	515.295948
ΔH_f, kcal/mol:	-132.58
Dipole, Da:	4.6
IP(EA), eV:	-8.92(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(1,4-oxazepan-4-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)O/N=C/C2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations