Geometry & MOs

Info

ID:	331050
PubChem CID:	127248457
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-81.71
Dipole, Da:	2.59
IP(EA), eV:	-9.02(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1H-pyrazol-4-yl)-[2-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations