Geometry & MOs

Info

ID:	148301
PubChem CID:	53787963
Reduced:	SN2H9C13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	415.041185
ΔH_f, kcal/mol:	192.18
Dipole, Da:	3.42
IP(EA), eV:	-8.81(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethylsulfanyl 4-[4-(3,5-dichloropyridin-2-yl)-2-hydroxyphenoxy]pentanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2SC(=N)C(C#N)C(C#N)C(=N)SC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations