Geometry & MOs

Info

ID:	138857
PubChem CID:	52435025
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	406.142976
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	1.94
IP(EA), eV:	-8.92(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-phenylbenzotriazol-5-yl)-3-(5-phenylfuran-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2NC(=O)[C@H](C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations