Geometry & MOs

Info

ID:	230295
PubChem CID:	87570604
Reduced:	FN2S2O4H19C22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	441.129791
ΔH_f, kcal/mol:	-126.2
Dipole, Da:	4.03
IP(EA), eV:	-9.11(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(1R,2R,3S,4S)-1-acetyl-2-ethyl-4-hydroxy-3-nitro-2-(4-nitrophenyl)-4-phenylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCN1/C(=C\C2=CC=C(C=C2)OC3=C(C=C(C=C3)CC4C(=O)NC(=S)S4)F)/COC1=O

DOS

IR

Vibrations