Geometry & MOs

Info

ID:	299798
PubChem CID:	117695609
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	539.132648
ΔH_f, kcal/mol:	-172.75
Dipole, Da:	8.38
IP(EA), eV:	-8.37(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[7-[3-fluoro-4-[[2-(2-fluoro-5-methylphenyl)acetyl]amino]phenoxy]thieno[3,2-b]pyridine-2-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC(CO)C(C(C(C)N1C=C(C(=O)NC1=CC)C=C)O)O

DOS

IR

Vibrations