Geometry & MOs

Info

ID:	33577
PubChem CID:	7887055
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	350.083348
ΔH_f, kcal/mol:	-130.43
Dipole, Da:	2.78
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] 2-amino-4-chlorobenzoate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CC2=CC=C(S2)C(=O)COC(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations