Geometry & MOs

Info

ID:	63564
PubChem CID:	26758633
Reduced:	SN3O7C20H23 (1)
Stoich.:	AB3C7D20E23 (1)
Weight, g/mol:	407.093579
ΔH_f, kcal/mol:	-175.5
Dipole, Da:	4.04
IP(EA), eV:	-9.41(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations