Geometry & MOs

Info

ID:	330990
PubChem CID:	127248397
Reduced:	SO2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	3.11
IP(EA), eV:	-8.89(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC(C)C

DOS

IR

Vibrations