Geometry & MOs

Info

ID:	186934
PubChem CID:	77506967
Reduced:	O4N7C28H33 (1)
Stoich.:	A4B7C28D33 (1)
Weight, g/mol:	501.9562
ΔH_f, kcal/mol:	-79.33
Dipole, Da:	2.18
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-bromo-5-(5-bromo-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]prop-2-enyl benzoate

Drug info:

PubChemData

Smile

CC1COCCN1C2=NC(=NC(=C2)NC(=O)C3=CC=C(C=C3)N(C4=CC=CC=C4)C(=O)N)N5CCOCC5C

DOS

IR

Vibrations