Geometry & MOs

Info

ID:

226581

PubChem CID:

87544234

Reduced:

F2N2O3C29H38 (2)

Stoich.:

A2B2C3D29E38 (2)

Weight, g/mol:

652.261405

ΔHf, kcal/mol:

-484.12

Dipole, Da:

4.56

IP(EA), eV:

 -9.22(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-N-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazin-5-yl]-2-[2,2-diethyl-7-(trifluoromethyl)-3H-chromen-4-ylidene]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CN[C@@H]2CC(C(=O)C3=C2C=C(C=C3)CC(C)(C)C)(C)C)O.CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CN[C@H]2CC(C(=O)C3=C2C=C(C=C3)CC(C)(C)C)(C)C)O

DOS

IR

Vibrations