Geometry & MOs

Info

ID:	195899
PubChem CID:	78745794
Reduced:	ClSO2N4C19H25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	391.07574
ΔH_f, kcal/mol:	-46.27
Dipole, Da:	6.46
IP(EA), eV:	-8.75(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCCC1)SC2=NNC(=N2)C3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations