Geometry & MOs

Info

ID:	34091
PubChem CID:	7889776
Reduced:	ClFNSO3C19H19 (1)
Stoich.:	ABCDE3F19G19 (1)
Weight, g/mol:	361.114793
ΔH_f, kcal/mol:	-157.4
Dipole, Da:	5.29
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations