Geometry & MOs

Info

ID:	127894
PubChem CID:	51021570
Reduced:	ClN2O4C22H29 (1)
Stoich.:	AB2C4D22E29 (1)
Weight, g/mol:	336.02224
ΔH_f, kcal/mol:	-183.45
Dipole, Da:	7.01
IP(EA), eV:	-8.77(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,4R,6R,8R,9S,10R)-9-iodo-6-propan-2-yl-5,7-dioxatetracyclo[6.3.0.02,6.03,10]undecan-4-ol

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@H]2C3

DOS

IR

Vibrations