Geometry & MOs

Info

ID:	39607
PubChem CID:	8141587
Reduced:	SN3O4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	334.112899
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	3.26
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC(=O)NN2C(=O)[C@@](NC2=O)(C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations