Geometry & MOs

Info

ID:	330784
PubChem CID:	127248191
Reduced:	SO3N4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	442.17871
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	2.78
IP(EA), eV:	-8.8(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C=C(N2)C(=O)N3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)NCCO

DOS

IR

Vibrations