Geometry & MOs

Info

ID:	330902
PubChem CID:	127248309
Reduced:	OSN5C25H25 (1)
Stoich.:	ABC5D25E25 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	60.95
Dipole, Da:	1.0
IP(EA), eV:	-8.93(-1.08)
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-morpholin-4-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=C2)N3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N(C)C

DOS

IR

Vibrations