Geometry & MOs

Info

ID:	142541
PubChem CID:	53053628
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	394.142324
ΔH_f, kcal/mol:	-56.22
Dipole, Da:	6.31
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-7-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(CN(CC2)C)C(=O)N3C1=C(C=N3)C(=O)NC4CCCCCC4

DOS

IR

Vibrations