Geometry & MOs

Info

ID:	268307
PubChem CID:	103598851
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	351.104148
ΔH_f, kcal/mol:	-117.04
Dipole, Da:	5.76
IP(EA), eV:	-8.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[acetyl(methyl)amino]phenyl]-3-(1,3-benzothiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)N(C)C(=O)C)OC

DOS

IR

Vibrations