Geometry & MOs

Info

ID:	34176
PubChem CID:	7890171
Reduced:	SN3O6C15H15 (1)
Stoich.:	AB3C6D15E15 (1)
Weight, g/mol:	388.057001
ΔH_f, kcal/mol:	-146.81
Dipole, Da:	4.94
IP(EA), eV:	-8.99(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,4-bis(difluoromethoxy)phenyl]-2-oxoethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

DOS

IR

Vibrations