Geometry & MOs

Info

ID:	131705
PubChem CID:	51248123
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	358.115127
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	6.36
IP(EA), eV:	-8.82(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-fluorophenyl)sulfanylpropanoylamino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)N3CCCS3(=O)=O

DOS

IR

Vibrations