Geometry & MOs

Info

ID:	444574
PubChem CID:	135262889
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	484.122356
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	2.78
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorofuran-2-yl)-(2,4-dimethylphenyl)methyl]-1-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)N1CC2=C(C1)C=C(C=C2)Br

DOS

IR

Vibrations