Geometry & MOs

Info

ID:	333763
PubChem CID:	127252315
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-87.73
Dipole, Da:	4.27
IP(EA), eV:	-8.67(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations