Geometry & MOs

Info

ID:	331033
PubChem CID:	127248440
Reduced:	SO3N5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-51.13
Dipole, Da:	0.93
IP(EA), eV:	-8.68(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC)C

DOS

IR

Vibrations