Geometry & MOs

Info

ID:	29048
PubChem CID:	831320
Reduced:	SN3O4H15C16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	9.64
IP(EA), eV:	-9.62(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-4,4-dimethyl-3-oxo-1-phenylpentyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1(CC2=C([C@@H](C(=C(O2)N)C#N)C3=CC=C(S3)[N+](=O)[O-])C(=O)C1)C

DOS

IR

Vibrations