Geometry & MOs

Info

ID:	438673
PubChem CID:	135228423
Reduced:	SN9O12C32H45 (1)
Stoich.:	AB9C12D32E45 (1)
Weight, g/mol:	324.00309
ΔH_f, kcal/mol:	-450.57
Dipole, Da:	3.3
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-1,9-dimethyl-3-oxatricyclo[4.2.1.02,4]nonan-9-yl)methanesulfonic acid

Drug info:

PubChemData

Smile

C1CN(CCN(C(CN(CCN1CC(=O)NCC(=O)O)CC(=O)NCC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)NCC(=O)O)CC(=O)NCC(=O)O

DOS

IR

Vibrations