Geometry & MOs

Info

ID:	330783
PubChem CID:	127248190
Reduced:	O2N5C26H31 (1)
Stoich.:	A2B5C26D31 (1)
Weight, g/mol:	448.156912
ΔH_f, kcal/mol:	-19.42
Dipole, Da:	7.62
IP(EA), eV:	-8.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-(6-methyl-1H-indole-2-carbonyl)pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=C(C=NN2)C3=CC(=NC=C3)NCC4=C(C=C5CCCCC5=C4)OC

DOS

IR

Vibrations