Geometry & MOs

Info

ID:	263998
PubChem CID:	103414101
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	395.92959
ΔH_f, kcal/mol:	-114.41
Dipole, Da:	4.82
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dibromo-5-methoxyanilino)-2-methylbenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CN=C(S2)C

DOS

IR

Vibrations