Geometry & MOs

Info

ID:	55829
PubChem CID:	17396624
Reduced:	NF2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-250.2
Dipole, Da:	2.09
IP(EA), eV:	-8.29(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2-ethylanilino)acetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)OC)OC)OC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations