Geometry & MOs

Info

ID:	157092
PubChem CID:	56422115
Reduced:	SN4O5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	400.17467
ΔH_f, kcal/mol:	-124.9
Dipole, Da:	7.13
IP(EA), eV:	-8.75(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)COC(=O)C3=NN=C(C=C3)N4CCCC4

DOS

IR

Vibrations