Geometry & MOs

Info

ID:	234255
PubChem CID:	92298034
Reduced:	O2F4N7H23C30 (1)
Stoich.:	A2B4C7D23E30 (1)
Weight, g/mol:	458.13972
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	7.17
IP(EA), eV:	-9.78(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-[1-[3-(2-chlorophenoxy)propyl]imidazol-2-yl]-1-phenylethenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)[C@H](C2=CC=NC=C2)N(C3=CC=CC(=C3)C(F)(F)F)C(=O)CN4N=C(N=N4)C5=CC=CC=C5F

DOS

IR

Vibrations