Geometry & MOs

Info

ID:	133734
PubChem CID:	51584069
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	424.234865
ΔH_f, kcal/mol:	-162.43
Dipole, Da:	3.77
IP(EA), eV:	-9.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[4-(3-methyl-2H-1,2-oxazol-5-ylidene)pyrazol-3-yl]piperidin-1-yl]-[5-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)furan-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCC(CC1)[C@H]2NC3=C(C=CC(=C3)OC)S(=O)(=O)N2

DOS

IR

Vibrations