Geometry & MOs

Info

ID:	79651
PubChem CID:	49829851
Reduced:	SN5H23C24 (1)
Stoich.:	AB5C23D24 (1)
Weight, g/mol:	408.088827
ΔH_f, kcal/mol:	146.95
Dipole, Da:	3.04
IP(EA), eV:	-6.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-(4-fluoro-3-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1C[NH+]=C(N1)C2=CC3=C(C=C2)C=C(N3)C=CC4=CC5=C(S4)C=C(C=C5)C6=[NH+]CCN6

DOS

IR

Vibrations