Geometry & MOs

Info

ID:	10839
PubChem CID:	108449
Reduced:	SF3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	406.143902
ΔH_f, kcal/mol:	-74.89
Dipole, Da:	7.15
IP(EA), eV:	-8.44(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2,5-dimethyl-4-[[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]diazenyl]aniline

Drug info:

PubChemData

Smile

CCC(C)NC1=C(C=C(C(=C1)C)N=NC2=NC3=C(C=CC=C3S2)C(F)(F)F)C

DOS

IR

Vibrations