Geometry & MOs

Info

ID:	129237
PubChem CID:	51072024
Reduced:	ClNSH4C9 (1)
Stoich.:	ABCD4E9 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	63.22
Dipole, Da:	2.99
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(5-methyl-2-nitroanilino)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C=C(S2)C#N

DOS

IR

Vibrations