Geometry & MOs

Info

ID:	406648
PubChem CID:	135078249
Reduced:	O3N6C11H12 (1)
Stoich.:	A3B6C11D12 (1)
Weight, g/mol:	258.067428
ΔH_f, kcal/mol:	-1.7
Dipole, Da:	0.33
IP(EA), eV:	-9.68(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butylsulfonyl-2-nitroaniline

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](OC1N2C3=C(C=N2)C4=NC=CN4N=N3)CO)O

DOS

IR

Vibrations