Geometry & MOs

Info

ID:	63994
PubChem CID:	26759640
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	349.112564
ΔH_f, kcal/mol:	-117.82
Dipole, Da:	5.39
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-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)/C=C/C2=CC(=C(C=C2)OCC#N)OC)C

DOS

IR

Vibrations