Geometry & MOs

Info

ID:	330822
PubChem CID:	127248229
Reduced:	FS2N3O3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	440.16306
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	5.0
IP(EA), eV:	-9.25(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[1-[2-(methylamino)pyrimidine-5-carbonyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations