Geometry & MOs

Info

ID:

67519

PubChem CID:

46506631

Reduced:

SN2O3C14H14 (2)

Stoich.:

AB2C3D14E14 (2)

Weight, g/mol:

564.150112

ΔHf, kcal/mol:

-156.58

Dipole, Da:

5.8

IP(EA), eV:

 -8.64(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[11-acetyl-4-(3-methoxyphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)NC4=CC(=C(C=C4)OC)OC)C5=CC(=CC=C5)OC

DOS

IR

Vibrations