Geometry & MOs

Info

ID:	350070
PubChem CID:	127276943
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	354.172562
ΔH_f, kcal/mol:	-127.67
Dipole, Da:	2.76
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-2-(2-ethylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1CCCN1CC(=O)NCC2=CC=CC=C2S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations