Geometry & MOs

Info

ID:	43369
PubChem CID:	10321185
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	443.087258
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	11.27
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-fluoro-4-[2-[(4-methoxyphenyl)sulfonylamino]ethylsulfanyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)NC4CCCC4C5=NC(=O)NN5

DOS

IR

Vibrations