Geometry & MOs

Info

ID:	374433
PubChem CID:	131329349
Reduced:	BrINSH7C11 (1)
Stoich.:	ABCDE7F11 (1)
Weight, g/mol:	291.97087
ΔH_f, kcal/mol:	79.63
Dipole, Da:	3.11
IP(EA), eV:	-9.05(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-diamino-5-iodobenzoate

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)CC#N)CBr)I

DOS

IR

Vibrations