Geometry & MOs

Info

ID:	195736
PubChem CID:	78729477
Reduced:	NF2O4H9C15 (1)
Stoich.:	AB2C4D9E15 (1)
Weight, g/mol:	400.124549
ΔH_f, kcal/mol:	-113.49
Dipole, Da:	3.09
IP(EA), eV:	-9.99(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])F

DOS

IR

Vibrations