Geometry & MOs

Info

ID:	157172
PubChem CID:	56422220
Reduced:	NSO4C9H13 (2)
Stoich.:	ABC4D9E13 (2)
Weight, g/mol:	448.097408
ΔH_f, kcal/mol:	-320.87
Dipole, Da:	8.65
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-[3-(2-methoxy-2-oxoethyl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=C(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCSCC(=O)OC)C(=O)OC

DOS

IR

Vibrations