Geometry & MOs

Info

ID:	330941
PubChem CID:	127248348
Reduced:	S2O3N4C21H24 (1)
Stoich.:	A2B3C4D21E24 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-62.41
Dipole, Da:	2.32
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-cyclopropyl-2-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations