Geometry & MOs

Info

ID:	276803
PubChem CID:	103825322
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-71.64
Dipole, Da:	3.21
IP(EA), eV:	-9.83(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC=NN1C

DOS

IR

Vibrations