Geometry & MOs

Info

ID:	320344
PubChem CID:	126659607
Reduced:	SN3O5C32H35 (1)
Stoich.:	AB3C5D32E35 (1)
Weight, g/mol:	381.089849
ΔH_f, kcal/mol:	-49.02
Dipole, Da:	5.27
IP(EA), eV:	-8.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-4-amino-5-[4-(2,5-dichlorophenyl)phenyl]-2-hydroxypentanoate

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(COCCC2=CC=CC=C2)O)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)NN(C)SOC

DOS

IR

Vibrations