Geometry & MOs

Info

ID:	379554
PubChem CID:	134444354
Reduced:	SN6O11C29H44 (1)
Stoich.:	AB6C11D29E44 (1)
Weight, g/mol:	257.99055
ΔH_f, kcal/mol:	-450.19
Dipole, Da:	11.98
IP(EA), eV:	-8.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-iodoethyl)bicyclo[4.2.0]octa-1(6),2,4-triene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C[C@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)NC(=S)NCCCCCC(=O)CN

DOS

IR

Vibrations