Geometry & MOs

Info

ID:	330894
PubChem CID:	127248301
Reduced:	SO2N5C22H25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-13.32
Dipole, Da:	4.04
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations