Geometry & MOs

Info

ID:	448361
PubChem CID:	135290370
Reduced:	SN2O7C23H28 (1)
Stoich.:	AB2C7D23E28 (1)
Weight, g/mol:	347.82566
ΔH_f, kcal/mol:	-252.95
Dipole, Da:	14.88
IP(EA), eV:	-9.51(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-diiodo-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1(CC[C@H]2N1N3C=C(C(=O)C=C3C4=CC(=C(C=C24)OCCCOC)S(=O)(=O)C)C(=O)O)C

DOS

IR

Vibrations