Geometry & MOs

Info

ID:	311277
PubChem CID:	126590149
Reduced:	FSO3N4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	318.101585
ΔH_f, kcal/mol:	27.3
Dipole, Da:	6.53
IP(EA), eV:	-8.72(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-hydroxyphenyl)-N'-(2-methoxyphenyl)propanediamide

Drug info:

PubChemData

Smile

CCCN1C=C(N=C1)C2=CC3C(S2)C(=CC=N3)OC4=C(C=C(C=C4)[N+](=O)[O-])F

DOS

IR

Vibrations