Geometry & MOs

Info

ID:	229973
PubChem CID:	87569747
Reduced:	FCl2N3S3O5H18C23 (1)
Stoich.:	AB2C3D3E5F18G23 (1)
Weight, g/mol:	408.11688
ΔH_f, kcal/mol:	-147.94
Dipole, Da:	5.3
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-4-(2-ethoxy-2-oxoethyl)-3-nitro-2-(4-nitrophenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(SC(=N1)NC(=O)C2=CC(=CN2CC3=CC(=C(C=C3)Cl)F)S(=O)(=O)C4=CC=CS4)Cl

DOS

IR

Vibrations