Geometry & MOs

Info

ID:

168426

PubChem CID:

74965751

Reduced:

S2N3O6C64H65 (1)

Stoich.:

A2B3C6D64E65 (1)

Weight, g/mol:

432.251189

ΔHf, kcal/mol:

-103.38

Dipole, Da:

4.5

IP(EA), eV:

 -8.49(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7-methoxy-9-methyl-3-oxo-5-propyl-4,15-dioxabicyclo[9.3.1]pentadecan-13-yl) benzoate

Drug info:

PubChemData

Smile

CC(C)C1C(CC(=O)OC(CC(=O)NC(C(=O)NC(C(=O)N1)CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5)C=CCCSC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O

DOS

IR

Vibrations