Geometry & MOs

Info

ID:	157390
PubChem CID:	56423154
Reduced:	SO3N4H18C21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	440.13184
ΔH_f, kcal/mol:	-10.06
Dipole, Da:	4.19
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCNC(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations