Geometry & MOs

Info

ID:	350853
PubChem CID:	127279141
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	359.151288
ΔH_f, kcal/mol:	-42.26
Dipole, Da:	10.91
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(2-cyclobutylpyrrolidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CN3CCCC3C4CCC4

DOS

IR

Vibrations