Geometry & MOs

Info

ID:	331060
PubChem CID:	127248467
Reduced:	SN2O2C10H11 (2)
Stoich.:	AB2C2D10E11 (2)
Weight, g/mol:	446.108248
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	2.52
IP(EA), eV:	-9.12(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-[4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations