Geometry & MOs

Info

ID:	330834
PubChem CID:	127248241
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	434.177647
ΔH_f, kcal/mol:	-30.47
Dipole, Da:	2.95
IP(EA), eV:	-8.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N

DOS

IR

Vibrations