Geometry & MOs

Info

ID:

67530

PubChem CID:

46506659

Reduced:

SO2N3C20H27 (1)

Stoich.:

AB2C3D20E27 (1)

Weight, g/mol:

598.11114

ΔHf, kcal/mol:

-54.61

Dipole, Da:

4.13

IP(EA), eV:

 -9.07(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3(CCN(CC3)C(=O)OC(C)(C)C)N=C2SC

DOS

IR

Vibrations