Geometry & MOs

Info

ID:	224845
PubChem CID:	85462449
Reduced:	N4O4H16C21 (1)
Stoich.:	A4B4C16D21 (1)
Weight, g/mol:	392.110711
ΔH_f, kcal/mol:	10.65
Dipole, Da:	7.84
IP(EA), eV:	-9.24(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenyl-N-(2-pyrazol-1-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CN=CC=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations