Geometry & MOs

Info

ID:	397214
PubChem CID:	135029898
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	514.175831
ΔH_f, kcal/mol:	9.37
Dipole, Da:	4.57
IP(EA), eV:	-8.64(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-4-[4-chloro-2-(2-hydroxy-6-methoxyphenyl)-3-methoxy-6-phenylmethoxyphenyl]-3-hydroxy-3-methylbutanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1C2=CC=CC=C2N=NN3CCCC3

DOS

IR

Vibrations