Geometry & MOs

Info

ID:	330864
PubChem CID:	127248271
Reduced:	SO2N3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	3.05
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

morpholin-4-yl-[3-[1-(2-phenylethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]methanone

Drug info:

PubChemData

Smile

CN(CCO)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)CCC4=CC=CC=C4

DOS

IR

Vibrations