Geometry & MOs

Info

ID:	249262
PubChem CID:	103088139
Reduced:	FCl2N2O2S2C10H11 (1)
Stoich.:	AB2C2D2E2F10G11 (1)
Weight, g/mol:	318.00376
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	5.12
IP(EA), eV:	-8.64(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-methylsulfanylbutyl)-3-nitroaniline

Drug info:

PubChemData

Smile

CCN(CC(=S)N)S(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl

DOS

IR

Vibrations