Geometry & MOs

Info

ID:	198735
PubChem CID:	79143183
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	283.079076
ΔH_f, kcal/mol:	-44.0
Dipole, Da:	3.99
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-5-fluorophenyl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)NC3CCC(=O)N(C3=O)C

DOS

IR

Vibrations