Geometry & MOs

Info

ID:	233662
PubChem CID:	91148343
Reduced:	SF2N2O2C15H15 (2)
Stoich.:	AB2C2D2E15F15 (2)
Weight, g/mol:	397.0717
ΔH_f, kcal/mol:	-270.22
Dipole, Da:	7.07
IP(EA), eV:	-9.51(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chloro-4-nitrophenoxy)phenyl] 3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(F)(F)F)C(=O)NCC(CC2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)N(C4=NN=CS4)C(C)C

DOS

IR

Vibrations