Geometry & MOs

Info

ID:	330816
PubChem CID:	127248223
Reduced:	S2O3N5C20H25 (1)
Stoich.:	A2B3C5D20E25 (1)
Weight, g/mol:	425.152161
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	8.66
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations