Geometry & MOs

Info

ID:	331090
PubChem CID:	127248497
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	4.87
IP(EA), eV:	-8.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetylmorpholin-2-yl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCNC(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C

DOS

IR

Vibrations