Geometry & MOs

Info

ID:	222427
PubChem CID:	85300708
Reduced:	ClO4H11C18 (1)
Stoich.:	AB4C11D18 (1)
Weight, g/mol:	327.131802
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	7.44
IP(EA), eV:	-9.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,3-dihydroxy-5-methoxy-4-(phenylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=CC(=O)O2)C(=O)C=CC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations