Geometry & MOs

Info

ID:	359361
PubChem CID:	127298496
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-109.52
Dipole, Da:	2.48
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCN2CCC(CC2)NC(=O)CC3CCCC3

DOS

IR

Vibrations