Geometry & MOs

Info

ID:	330830
PubChem CID:	127248237
Reduced:	FS2N3O3C21H22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	2.78
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[1-[(2-methoxy-4-methylphenyl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C)F

DOS

IR

Vibrations