Geometry & MOs

Info

ID:	57316
PubChem CID:	22395650
Reduced:	BrClSC2N2 (1)
Stoich.:	ABCD2E2 (1)
Weight, g/mol:	133.050084
ΔH_f, kcal/mol:	62.89
Dipole, Da:	3.91
IP(EA), eV:	-10.39(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

methyl acetate;acetate

Drug info:

PubChemData

Smile

C1(=NN=C(S1)Br)Cl

DOS

IR

Vibrations