Geometry & MOs

Info

ID:	262407
PubChem CID:	103291521
Reduced:	ClSN3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	308.038627
ΔH_f, kcal/mol:	34.52
Dipole, Da:	3.97
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfanyl]-N-methyl-5-nitroaniline

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1SCC2=CC=CC=C2Cl)NC

DOS

IR

Vibrations