Geometry & MOs

Info

ID:	320354
PubChem CID:	126659727
Reduced:	N2O5C33H36 (1)
Stoich.:	A2B5C33D36 (1)
Weight, g/mol:	433.129215
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	5.6
IP(EA), eV:	-8.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-1-[4-(3-chlorophenyl)phenyl]-4-hydroxy-5-oxo-5-propan-2-yloxypentan-2-yl]amino]-2-oxoacetic acid

Drug info:

PubChemData

Smile

CC(CCC1=CC2=C(C=C1)OCO2)NC/C(=N\OC(=C)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)CC(=O)O)/C

DOS

IR

Vibrations