Geometry & MOs

Info

ID:	330829
PubChem CID:	127248236
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	447.108662
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	1.15
IP(EA), eV:	-9.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO)OC

DOS

IR

Vibrations