Geometry & MOs

Info

ID:	156559
PubChem CID:	56371131
Reduced:	S2N3O5C14H19 (1)
Stoich.:	A2B3C5D14E19 (1)
Weight, g/mol:	425.208134
ΔH_f, kcal/mol:	-126.91
Dipole, Da:	4.28
IP(EA), eV:	-9.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]piperidin-2-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(O2)CS(=O)(=O)CCN3C=CC=N3

DOS

IR

Vibrations