Geometry & MOs

Info

ID:	167698
PubChem CID:	74859576
Reduced:	SN3O4C26H39 (1)
Stoich.:	AB3C4D26E39 (1)
Weight, g/mol:	479.200941
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	1.88
IP(EA), eV:	-8.41(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[3-(4-chlorophenoxy)-2-hydroxypropyl]-propylamino]methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradec-1(9)-en-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCC(CN(CCCOC)CC2NC3C(C4=C(S3)CCCCC4)C(=O)N2)O

DOS

IR

Vibrations