Geometry & MOs

Info

ID:	193278
PubChem CID:	78369643
Reduced:	ClO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-14.52
Dipole, Da:	4.6
IP(EA), eV:	-8.53(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-butyl-4-hydroxy-6-oxo-1,3-diazinan-2-yl)sulfanyl]-1-(2-methoxyphenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=C(N3C2=NC4C3C(=O)NC(=O)N4C)C)C

DOS

IR

Vibrations