Geometry & MOs

Info

ID:	63780
PubChem CID:	26759175
Reduced:	NSCl2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	385.035099
ΔH_f, kcal/mol:	-103.13
Dipole, Da:	4.28
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations