Geometry & MOs

Info

ID:	31795
PubChem CID:	3718313
Reduced:	N2S3O5C26H26 (1)
Stoich.:	A2B3C5D26E26 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-115.46
Dipole, Da:	6.26
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-6-hydroxy-5-[C-methyl-N-(2-methylanilino)carbonimidoyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C2C=CCCC2=C(S1)C(=O)N3CCC(CC3)C4=NC(=CS4)C5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations