Geometry & MOs

Info

ID:	184241
PubChem CID:	77132410
Reduced:	SO4N5C24H25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	521.191048
ΔH_f, kcal/mol:	-21.32
Dipole, Da:	7.56
IP(EA), eV:	-8.97(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-acetylpiperazin-1-yl)-5-nitrophenyl]methylidene]-1-[2-(4-methoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)N2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])N4CCNCC4)C(=O)NC2=S)C

DOS

IR

Vibrations