Geometry & MOs

Info

ID:	311300
PubChem CID:	126590317
Reduced:	NO2C25H29 (1)
Stoich.:	AB2C25D29 (1)
Weight, g/mol:	511.167811
ΔH_f, kcal/mol:	-22.54
Dipole, Da:	5.09
IP(EA), eV:	-8.91(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N'-[3-methyl-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-phenylpropanediamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(N=C2)C3=CC=CC=C3CCO/C(=C\C(C)O)/C)C

DOS

IR

Vibrations