Geometry & MOs

Info

ID:	150566
PubChem CID:	53790259
Reduced:	BrClO3N5H15C18 (1)
Stoich.:	ABC3D5E15F18 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	43.3
Dipole, Da:	2.64
IP(EA), eV:	-9.27(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2,2-dimethyl-1,3-dihydroinden-1-yl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C(=NC2=C(C(=CC=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)NNC(CBr)C=O

DOS

IR

Vibrations