Geometry & MOs

Info

ID:	330935
PubChem CID:	127248342
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	427.167811
ΔH_f, kcal/mol:	-64.71
Dipole, Da:	5.95
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations