Geometry & MOs

Info

ID:	63609
PubChem CID:	26758755
Reduced:	ClSN2O5H23C24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	375.08735
ΔH_f, kcal/mol:	-146.09
Dipole, Da:	8.89
IP(EA), eV:	-9.36(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4Cl

DOS

IR

Vibrations