Geometry & MOs

Info

ID:	330934
PubChem CID:	127248341
Reduced:	O2S2N5C20H23 (1)
Stoich.:	A2B2C5D20E23 (1)
Weight, g/mol:	441.183461
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	2.89
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC(=C(S1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC)C

DOS

IR

Vibrations