Geometry & MOs

Info

ID:	63446
PubChem CID:	26758361
Reduced:	NSO3F4H13C17 (1)
Stoich.:	ABC3D4E13F17 (1)
Weight, g/mol:	387.055227
ΔH_f, kcal/mol:	-279.36
Dipole, Da:	7.05
IP(EA), eV:	-9.2(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)SC(F)F)OC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations