Geometry & MOs

Info

ID:	224229
PubChem CID:	85340340
Reduced:	ClSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	399.186815
ΔH_f, kcal/mol:	-39.86
Dipole, Da:	3.26
IP(EA), eV:	-9.25(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaen-5-yl) 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CN(CCON=C1C2=C(CCC3=C1N=CC=C3)C=C(C=C2)Cl)S(=O)(=O)C

DOS

IR

Vibrations