Geometry & MOs

Info

ID:	330996
PubChem CID:	127248403
Reduced:	SO2N5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	447.118354
ΔH_f, kcal/mol:	39.35
Dipole, Da:	7.93
IP(EA), eV:	-8.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-chloro-3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)CC4=C(NN=C4)C5=CC=CC=C5

DOS

IR

Vibrations