Geometry & MOs

Info

ID:	320358
PubChem CID:	126659758
Reduced:	FON2H23C24 (1)
Stoich.:	ABC2D23E24 (1)
Weight, g/mol:	417.134301
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	1.4
IP(EA), eV:	-8.75(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[(2R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxy-5-oxopentan-2-yl]amino]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CN(C3=NC(=C2C(C)O)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations