Geometry & MOs

Info

ID:	32831
PubChem CID:	7848759
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	407.120272
ΔH_f, kcal/mol:	-123.61
Dipole, Da:	2.78
IP(EA), eV:	-9.11(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC2=C(C=C(C=C2)C(=O)OCC(=O)NCCC3=CC=CC=C3)NC1=O

DOS

IR

Vibrations