Geometry & MOs

Info

ID:	168680
PubChem CID:	75001564
Reduced:	O3C16H22 (2)
Stoich.:	A3B16C22 (2)
Weight, g/mol:	549.01069
ΔH_f, kcal/mol:	-278.19
Dipole, Da:	5.01
IP(EA), eV:	-10.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl 3-(acetyloxymethyl)-7-iodo-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C(=O)OC)C)C)C)C(=O)O)C

DOS

IR

Vibrations