Geometry & MOs

Info

ID:	219603
PubChem CID:	85149436
Reduced:	ClSN2O5H31C33 (1)
Stoich.:	ABC2D5E31F33 (1)
Weight, g/mol:	604.161426
ΔH_f, kcal/mol:	-105.81
Dipole, Da:	3.64
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-diphenylethyl)-3-(4-fluorophenyl)-2-[2-[(3-nitropyridin-2-yl)disulfanyl]propanoylamino]propanamide

Drug info:

PubChemData

Smile

CN(CCN1C2=C(C=C(C=C2)Cl)SC(C(C1=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations