Geometry & MOs

Info

ID:	167697
PubChem CID:	74859575
Reduced:	SO2N3C24H35 (1)
Stoich.:	AB2C3D24E35 (1)
Weight, g/mol:	489.266128
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	5.05
IP(EA), eV:	-8.87(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[2-hydroxy-3-(2-methylphenoxy)propyl]-(3-methoxypropyl)amino]methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradec-1(9)-en-3-one

Drug info:

PubChemData

Smile

C=CCCC(CN(CC1=NC(=O)C2C3=C(CCCCC3)SC2=N1)C4CCCCC4)O

DOS

IR

Vibrations