Geometry & MOs

Info

ID:	164865
PubChem CID:	74462559
Reduced:	NO3C21H34 (1)
Stoich.:	AB3C21D34 (1)
Weight, g/mol:	388.063268
ΔH_f, kcal/mol:	-117.77
Dipole, Da:	4.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755079
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-[[2-[3-(difluoromethoxy)phenyl]-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2C3CCC(C4C3(C5C(O5)(CC4)C)OC2=O)C

DOS

IR

Vibrations