Geometry & MOs

Info

ID:	352617
PubChem CID:	127283706
Reduced:	S2N3O3C18H29 (1)
Stoich.:	A2B3C3D18E29 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-123.42
Dipole, Da:	4.03
IP(EA), eV:	-8.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)NCC3(CCSC3)N4CCOCC4

DOS

IR

Vibrations