Geometry & MOs

Info

ID:	63533
PubChem CID:	26758567
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	371.153286
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	5.09
IP(EA), eV:	-9.17(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,4-dimethylanilino)-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)/C=C/C2=CC=C(C=C2)C#N

DOS

IR

Vibrations