Geometry & MOs

Info

ID:	385726
PubChem CID:	134979835
Reduced:	ClSeO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	332.125988
ΔH_f, kcal/mol:	-112.54
Dipole, Da:	4.53
IP(EA), eV:	-9.11(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-benzyl 1-O-methyl (1R)-4,5-dimethoxycyclohexa-2,4-diene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CC=C(C[C@@]1(C=O)[Se]C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations