Geometry & MOs

Info

ID:	442403
PubChem CID:	135251862
Reduced:	ClSN3C26H34 (1)
Stoich.:	ABC3D26E34 (1)
Weight, g/mol:	587.195088
ΔH_f, kcal/mol:	18.33
Dipole, Da:	5.59
IP(EA), eV:	-7.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)ethoxy]propan-2-yl 4-[4-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)carbamoyl]-1,3-thiazol-2-yl]pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)CCCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

DOS

IR

Vibrations