Geometry & MOs

Info

ID:	352824
PubChem CID:	127283914
Reduced:	O2S2N5C17H21 (1)
Stoich.:	A2B2C5D17E21 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-8.22
Dipole, Da:	4.27
IP(EA), eV:	-8.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC2=CC=CC3=C2N=S=N3)C(=O)N4CCSCC4

DOS

IR

Vibrations