Geometry & MOs

Info

ID:

229329

PubChem CID:

87567421

Reduced:

N12O15C65H118 (1)

Stoich.:

A12B15C65D118 (1)

Weight, g/mol:

570.104305

ΔHf, kcal/mol:

-799.46

Dipole, Da:

5.93

IP(EA), eV:

 -9.29(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3Z)-3-[1-[(4-fluorophenyl)methyl]-2,4-dioxo-6-phenylpiperidin-3-ylidene]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide

Drug info:

PubChemData

Smile

C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)O)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)CNC)O

DOS

IR

Vibrations