Geometry & MOs

Info

ID:	176469
PubChem CID:	76054332
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	-116.16
Dipole, Da:	5.46
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2,4-dioxo-3-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-1,3-diazinane-5-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCN(CC1)CCNC(=O)C2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations