Geometry & MOs

Info

ID:	32829
PubChem CID:	7848749
Reduced:	FNSO5C20H22 (1)
Stoich.:	ABCD5E20F22 (1)
Weight, g/mol:	407.120272
ΔH_f, kcal/mol:	-213.55
Dipole, Da:	7.02
IP(EA), eV:	-9.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations