Geometry & MOs

Info

ID:	220661
PubChem CID:	85201711
Reduced:	N6O8C25H28 (1)
Stoich.:	A6B8C25D28 (1)
Weight, g/mol:	552.05798
ΔH_f, kcal/mol:	-230.11
Dipole, Da:	4.13
IP(EA), eV:	-9.55(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-1-[4-phenylmethoxy-5-(phenylmethoxymethyl)thiolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)OCCCN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations