Geometry & MOs

Info

ID:	330956
PubChem CID:	127248363
Reduced:	SO3N5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	3.53
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[(1-ethylpyrazol-4-yl)methyl]morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations