Geometry & MOs

Info

ID:	34649
PubChem CID:	7978775
Reduced:	ClSO3N4C18H19 (1)
Stoich.:	ABC3D4E18F19 (1)
Weight, g/mol:	368.125133
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	2.94
IP(EA), eV:	-9.08(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)/C=C/C(=O)OCC2=CC(=O)N3C=CSC3=N2)Cl

DOS

IR

Vibrations