Geometry & MOs

Info

ID:	223640
PubChem CID:	85335352
Reduced:	ClSN4O4C21H29 (1)
Stoich.:	ABC4D4E21F29 (1)
Weight, g/mol:	471.086012
ΔH_f, kcal/mol:	-139.61
Dipole, Da:	4.31
IP(EA), eV:	-9.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-fluoro-2-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)COC(=O)N(C)CCCN3C=CN=C3

DOS

IR

Vibrations