Geometry & MOs

Info

ID:	331017
PubChem CID:	127248424
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	433.167142
ΔH_f, kcal/mol:	-175.85
Dipole, Da:	3.11
IP(EA), eV:	-9.19(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-2-methyl-1-[2-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCOC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NCCO)OC

DOS

IR

Vibrations