Geometry & MOs

Info

ID:	235145
PubChem CID:	92304127
Reduced:	FO3N4H19C23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	378.124943
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	2.94
IP(EA), eV:	-9.55(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-3-(4-aminophenyl)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC=CC=N1)N2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4F

DOS

IR

Vibrations