Geometry & MOs

Info

ID:	234475
PubChem CID:	92298508
Reduced:	SCl2O2N3C15H17 (1)
Stoich.:	AB2C2D3E15F17 (1)
Weight, g/mol:	384.032456
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	4.05
IP(EA), eV:	-9.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NN=C(S1)C(C)(C)C)OC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations