Geometry & MOs

Info

ID:	331085
PubChem CID:	127248492
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-71.32
Dipole, Da:	4.36
IP(EA), eV:	-9.06(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC(C)C

DOS

IR

Vibrations