Geometry & MOs

Info

ID:	63158
PubChem CID:	26746541
Reduced:	N2O6C23H24 (1)
Stoich.:	A2B6C23D24 (1)
Weight, g/mol:	303.074071
ΔH_f, kcal/mol:	-137.07
Dipole, Da:	1.12
IP(EA), eV:	-8.53(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[4-(difluoromethylsulfanyl)anilino]-1-oxopropan-2-yl] propanoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OCC(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations