Geometry & MOs

Info

ID:	173384
PubChem CID:	75632270
Reduced:	ClSN2O5H31C32 (1)
Stoich.:	ABC2D5E31F32 (1)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	3.99
IP(EA), eV:	-9.02(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-dihydroxy-5-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]oxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C2C(CN(C2C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(C=C4)C)C5C(C1)C(=O)N(C5=O)CC6=CC=CC=C6

DOS

IR

Vibrations