Geometry & MOs

Info

ID:	297997
PubChem CID:	117645231
Reduced:	SO2N4F6C28H28 (1)
Stoich.:	AB2C4D6E28F28 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-343.51
Dipole, Da:	15.44
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-dimethylbutan-2-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)CNCC1=NC(=C(S1)C(=O)NC2=CC3=C(C=C2)C(CN(C3=O)C4=CC=CC(=C4)C(F)(F)F)(C)C)C(F)(F)F

DOS

IR

Vibrations