Geometry & MOs

Info

ID:	68929
PubChem CID:	46512535
Reduced:	S2N9C20H23 (1)
Stoich.:	A2B9C20D23 (1)
Weight, g/mol:	419.235497
ΔH_f, kcal/mol:	187.26
Dipole, Da:	5.54
IP(EA), eV:	-8.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3,5-dimethylpiperidin-1-yl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)CN4C(=S)N(C(=N4)C5=CC=CS5)C6CC6

DOS

IR

Vibrations