Geometry & MOs

Info

ID:	79439
PubChem CID:	49748637
Reduced:	SN2O4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-89.31
Dipole, Da:	6.87
IP(EA), eV:	-8.19(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CCCS2(=O)=O)NC(=O)C3=CC=CC=C3OC4=CC=CC=C4

DOS

IR

Vibrations