Geometry & MOs

Info

ID:	61071
PubChem CID:	26705256
Reduced:	ClSN2O5C22H25 (1)
Stoich.:	ABC2D5E22F25 (1)
Weight, g/mol:	409.0325
ΔH_f, kcal/mol:	-177.27
Dipole, Da:	6.76
IP(EA), eV:	-9.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations