Geometry & MOs

Info

ID:	440788
PubChem CID:	135231462
Reduced:	BrION4H8C11 (1)
Stoich.:	ABCD4E8F11 (1)
Weight, g/mol:	131.076871
ΔH_f, kcal/mol:	59.77
Dipole, Da:	4.33
IP(EA), eV:	-9.54(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-ethylpropanimidothioate

Drug info:

PubChemData

Smile

C1C2=C(N=NN2C3=C(C=CC(=C3)I)NC1=O)CBr

DOS

IR

Vibrations