Geometry & MOs

Info

ID:	207819
PubChem CID:	80453341
Reduced:	FOSN4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	310.115127
ΔH_f, kcal/mol:	-15.73
Dipole, Da:	2.25
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethoxy]-2-fluorobenzenecarbothioamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NC=N1)COC2=CC(=C(C=C2)C(=S)N)F

DOS

IR

Vibrations