Geometry & MOs

Info

ID:	63986
PubChem CID:	26759626
Reduced:	S2N3O6C22H29 (1)
Stoich.:	A2B3C6D22E29 (1)
Weight, g/mol:	349.112564
ΔH_f, kcal/mol:	-206.34
Dipole, Da:	2.94
IP(EA), eV:	-9.23(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

DOS

IR

Vibrations