Geometry & MOs

Info

ID:	41921
PubChem CID:	8147839
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	322.107933
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	5.67
IP(EA), eV:	-8.46(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(3H-1,3-benzoxazol-2-ylidene)-4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)butanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=C(C=C1)F)NCC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC

DOS

IR

Vibrations