Geometry & MOs

Info

ID:	425586
PubChem CID:	135126809
Reduced:	N2C25H26 (1)
Stoich.:	A2B25C26 (1)
Weight, g/mol:	463.171182
ΔH_f, kcal/mol:	52.03
Dipole, Da:	3.58
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(4-methylpiperidin-1-yl)-6-[[5-(oxolan-2-ylmethylsulfanyl)furan-2-yl]methyl]-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3=NC=CC(=C3)C(C)C)C4=C(C25CCCC5)N=CC=C4

DOS

IR

Vibrations