Geometry & MOs

Info

ID:	330812
PubChem CID:	127248219
Reduced:	SO3N5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	-53.71
Dipole, Da:	1.83
IP(EA), eV:	-9.15(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-aminopyridin-3-yl)-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CCO)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)C4=C(N=CC=C4)N

DOS

IR

Vibrations