Geometry & MOs

Info

ID:	240723
PubChem CID:	93617201
Reduced:	ClSN3O3C14H22 (1)
Stoich.:	ABC3D3E14F22 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-107.81
Dipole, Da:	4.7
IP(EA), eV:	-8.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(ethyl)amino]-N-[2-[(3R)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCN(CC1)C[C@H](C2=CC=CC=C2Cl)O

DOS

IR

Vibrations