Geometry & MOs

Info

ID:	169582
PubChem CID:	75121648
Reduced:	ClSN3O3H14C18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	436.120526
ΔH_f, kcal/mol:	-21.48
Dipole, Da:	6.52
IP(EA), eV:	-8.82(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)COC(=O)C=CC3=C(N=C4N3C=CS4)Cl

DOS

IR

Vibrations