Geometry & MOs

Info

ID:	330845
PubChem CID:	127248252
Reduced:	SO2N5C22H29 (1)
Stoich.:	AB2C5D22E29 (1)
Weight, g/mol:	441.219846
ΔH_f, kcal/mol:	-28.15
Dipole, Da:	4.68
IP(EA), eV:	-8.87(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-(2-methoxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO)C

DOS

IR

Vibrations