Geometry & MOs

Info

ID:	370549
PubChem CID:	127339630
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	1.38
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C2CC3=CC=CC=C3CN2C(=O)C(C)NC(=O)C4CCCCC4

DOS

IR

Vibrations