Geometry & MOs

Info

ID:	219174
PubChem CID:	85091225
Reduced:	O10C37H58 (1)
Stoich.:	A10B37C58 (1)
Weight, g/mol:	664.057084
ΔH_f, kcal/mol:	-503.89
Dipole, Da:	3.28
IP(EA), eV:	-9.15(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-bis[(4-chlorobenzoyl)oxy]-5-indazol-2-yloxolan-2-yl]methyl 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)OC)OC6C(C(C(CO6)O)O)O)C)C)C2C1(C)O)C)C(=O)OC

DOS

IR

Vibrations