Geometry & MOs

Info

ID:	195448
PubChem CID:	78686969
Reduced:	SN3O5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	352.103477
ΔH_f, kcal/mol:	-129.69
Dipole, Da:	3.06
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-amino-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N

DOS

IR

Vibrations