Geometry & MOs

Info

ID:	170589
PubChem CID:	75256627
Reduced:	ClSO2N5H26C28 (1)
Stoich.:	ABC2D5E26F28 (1)
Weight, g/mol:	411.136511
ΔH_f, kcal/mol:	113.2
Dipole, Da:	29.68
IP(EA), eV:	-6.49(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NNC([NH+]2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=C(C=CC5=CC=CC=C54)[O-]

DOS

IR

Vibrations