Geometry & MOs

Info

ID:	311319
PubChem CID:	126590438
Reduced:	SO4N5H23C27 (1)
Stoich.:	AB4C5D23E27 (1)
Weight, g/mol:	491.167891
ΔH_f, kcal/mol:	-38.09
Dipole, Da:	10.16
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[2-[3-(morpholin-4-ylmethyl)phenyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CC(=O)NC2=CC=CC=C2OC)OC3=C4C(=NC=C3)C=C(S4)C5=CN=CN5

DOS

IR

Vibrations