Geometry & MOs

Info

ID:	15891
PubChem CID:	454551
Reduced:	NOSC10H13 (2)
Stoich.:	ABCD10E13 (2)
Weight, g/mol:	390.14357
ΔH_f, kcal/mol:	-51.79
Dipole, Da:	6.09
IP(EA), eV:	-8.79(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylmethoxymethyl)-5-ethyl-6-phenylsulfanyl-2-sulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(N(C(=NC1=O)S)COCC2CCCCC2)SC3=CC=CC=C3

DOS

IR

Vibrations