Geometry & MOs

Info

ID:	41925
PubChem CID:	8147843
Reduced:	FN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	372.123583
ΔH_f, kcal/mol:	-110.02
Dipole, Da:	8.25
IP(EA), eV:	-8.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-4-(2-ethoxynaphthalen-1-yl)but-3-enoate

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