Geometry & MOs

Info

ID:	137523
PubChem CID:	52219459
Reduced:	SO3N4C15H27 (1)
Stoich.:	AB3C4D15E27 (1)
Weight, g/mol:	432.970912
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	3.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755104
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 2,3,6-trichlorobenzoate

Drug info:

PubChemData

Smile

CC[NH+](CC)CCNC(=O)N[C@@H](C)C1=CC(=CC=C1)S(=O)(=O)N

DOS

IR

Vibrations