Geometry & MOs

Info

ID:	180928
PubChem CID:	76706231
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	454.213758
ΔH_f, kcal/mol:	-219.1
Dipole, Da:	8.54
IP(EA), eV:	-9.55(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-[3-(2-methylbutoxy)phenyl]propylsulfonyl]propoxymethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)(CCS(=O)(=O)CCCOCN1CCC(=O)NC1=O)C2=CC=CC=C2

DOS

IR

Vibrations