Geometry & MOs

Info

ID:	359465
PubChem CID:	127298739
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	394.086639
ΔH_f, kcal/mol:	-24.76
Dipole, Da:	4.87
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2CCCCN2C(=O)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations