Geometry & MOs

Info

ID:	165828
PubChem CID:	74602689
Reduced:	NO4C30H34 (1)
Stoich.:	AB4C30D34 (1)
Weight, g/mol:	479.162725
ΔH_f, kcal/mol:	-48.31
Dipole, Da:	1.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753229
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-3-ethyl-5-[2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=C(C=C1)OCC[NH+](C)C)C2=CC=C(C=C2)OC(=O)OCC=C)C3=CC=CC=C3

DOS

IR

Vibrations