Geometry & MOs

Info

ID:	331086
PubChem CID:	127248493
Reduced:	SN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	3.22
IP(EA), eV:	-9.21(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]-N-propan-2-ylthieno[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)NCCO

DOS

IR

Vibrations