Geometry & MOs

Info

ID:	11822
PubChem CID:	121473
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	307.099063
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	3.5
IP(EA), eV:	-8.84(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-5-(3-hydroxyphenyl)-2-sulfanyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CN(C)CCC1(C(=O)NC(=NC1=O)S)C2=CC(=CC=C2)O

DOS

IR

Vibrations