Geometry & MOs

Info

ID:	330997
PubChem CID:	127248404
Reduced:	ClFSO2N3C22H23 (1)
Stoich.:	ABCD2E3F22G23 (1)
Weight, g/mol:	439.204196
ΔH_f, kcal/mol:	-76.88
Dipole, Da:	5.34
IP(EA), eV:	-9.03(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=CC(=C(C=C4)Cl)F

DOS

IR

Vibrations