Geometry & MOs

Info

ID:	362148
PubChem CID:	127305834
Reduced:	SO2N6C15H24 (1)
Stoich.:	AB2C6D15E24 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-26.77
Dipole, Da:	6.15
IP(EA), eV:	-9.39(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCCC(=O)N2CCCC(C2)C(=O)N3CCCC3

DOS

IR

Vibrations