Geometry & MOs

Info

ID:	330874
PubChem CID:	127248281
Reduced:	SO3N4C21H30 (1)
Stoich.:	AB3C4D21E30 (1)
Weight, g/mol:	417.172228
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	2.75
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]-2-propan-2-yloxyethanone

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCC(C1)C2=C(SC3=C2C=CC=N3)C(=O)NCCN(C)C)OC

DOS

IR

Vibrations