Geometry & MOs

Info

ID:	41918
PubChem CID:	8147835
Reduced:	ClFON3C19H19 (1)
Stoich.:	ABCD3E19F19 (1)
Weight, g/mol:	328.097368
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	6.76
IP(EA), eV:	-9.51(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(E)-3-(1,3-benzoxazol-2-yl)-4-naphthalen-2-ylbut-3-enoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CC=C(C=C1)F)NCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations