Geometry & MOs

Info

ID:	28342
PubChem CID:	827123
Reduced:	SO2F3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	231.071785
ΔH_f, kcal/mol:	-202.14
Dipole, Da:	4.91
IP(EA), eV:	-9.46(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-ethylthiophen-3-yl)-phenylmethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)O)SC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations