Geometry & MOs

Info

ID:

67510

PubChem CID:

46506613

Reduced:

ON2C11H11 (2)

Stoich.:

AB2C11D11 (2)

Weight, g/mol:

582.133983

ΔHf, kcal/mol:

-8.97

Dipole, Da:

1.03

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[11-acetyl-4-(5-chloro-2-methylphenyl)-3,5-dioxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-6-yl]-N-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C3=C(C=NN3C)N(C2=O)CC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations