Geometry & MOs

Info

ID:	146780
PubChem CID:	53748600
Reduced:	BrClN4O6C26H32 (1)
Stoich.:	ABC4D6E26F32 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	-143.96
Dipole, Da:	9.95
IP(EA), eV:	-8.69(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3R)-2,2-dimethyl-3-[(2-oxothiolan-3-ylidene)methyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)CCN(CCC(=O)OCCCC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])Cl

DOS

IR

Vibrations