Geometry & MOs

Info

ID:	431834
PubChem CID:	135171948
Reduced:	SO2F3N4C24H27 (1)
Stoich.:	AB2C3D4E24F27 (1)
Weight, g/mol:	344.07356
ΔH_f, kcal/mol:	-170.4
Dipole, Da:	4.37
IP(EA), eV:	-9.17(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-methoxypropyl)-N-(2-methylpropyl)-2-nitroaniline

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations