Geometry & MOs

Info

ID:	236881
PubChem CID:	92715372
Reduced:	SO2N6C21H34 (1)
Stoich.:	AB2C6D21E34 (1)
Weight, g/mol:	434.246396
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	4.05
IP(EA), eV:	-8.83(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[3-(dipropylamino)propyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CC)CCCNC(=O)[C@@H]1CCCN(C1)C2=NN3C(=O)C=C(N=C3S2)C

DOS

IR

Vibrations