Geometry & MOs

Info

ID:	401269
PubChem CID:	135050748
Reduced:	NSO3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	486.113526
ΔH_f, kcal/mol:	-31.48
Dipole, Da:	1.03
IP(EA), eV:	-8.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-carbamoyl-4-hydroxy-2-[[5-hydroxy-2-(hydroxymethyl)pyrimidine-4-carbonyl]amino]-6-methylphenyl] 5-hydroxy-2-(hydroxymethyl)pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC(=O)C2=C(OC(=N2)C3=CC=CC=C3)OC

DOS

IR

Vibrations