Geometry & MOs

Info

ID:	308226
PubChem CID:	125323620
Reduced:	SO2N6C13H16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	320.105545
ΔH_f, kcal/mol:	0.89
Dipole, Da:	5.53
IP(EA), eV:	-8.91(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]-3-[(6R)-5-methyl-7-oxo-6H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CN=C(S1)NC(=O)CC[C@@H]2C(=NC3=NC=NN3C2=O)C

DOS

IR

Vibrations