Geometry & MOs

Info

ID:	192432
PubChem CID:	78268893
Reduced:	SCl2N3O4H21C28 (1)
Stoich.:	AB2C3D4E21F28 (1)
Weight, g/mol:	470.070321
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	4.08
IP(EA), eV:	-8.78(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C=C(C3=CC=CC=C3O2)NNC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations