Geometry & MOs

Info

ID:	330920
PubChem CID:	127248327
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	440.151826
ΔH_f, kcal/mol:	-41.25
Dipole, Da:	4.68
IP(EA), eV:	-9.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4=NOC(=C4)C5CC5

DOS

IR

Vibrations