Geometry & MOs

Info

ID:	331012
PubChem CID:	127248419
Reduced:	OSN2C10H12 (2)
Stoich.:	ABC2D10E12 (2)
Weight, g/mol:	432.128983
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	3.61
IP(EA), eV:	-8.82(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC(C)C

DOS

IR

Vibrations