Geometry & MOs

Info

ID:	175017
PubChem CID:	75846019
Reduced:	ClN2O3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	392.117235
ΔH_f, kcal/mol:	-45.71
Dipole, Da:	3.49
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-2-(4-fluorophenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=O)C(C4=CC=CC=C4Cl)OC

DOS

IR

Vibrations