Geometry & MOs

Info

ID:	311262
PubChem CID:	126590099
Reduced:	SN5O5H27C29 (1)
Stoich.:	AB5C5D27E29 (1)
Weight, g/mol:	436.120526
ΔH_f, kcal/mol:	-73.74
Dipole, Da:	9.71
IP(EA), eV:	-8.47(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[1-(methoxymethyl)imidazol-4-yl]thieno[3,2-b]pyridin-7-yl]oxy-3-methylphenyl]-3-oxopropanamide

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(C=N5)COC

DOS

IR

Vibrations