Geometry & MOs

Info

ID:	135686
PubChem CID:	51915784
Reduced:	SN2O5C24H28 (1)
Stoich.:	AB2C5D24E28 (1)
Weight, g/mol:	480.072429
ΔH_f, kcal/mol:	-168.55
Dipole, Da:	8.38
IP(EA), eV:	-8.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations