Geometry & MOs

Info

ID:

448175

PubChem CID:

135289022

Reduced:

SN7O7C47H77 (1)

Stoich.:

AB7C7D47E77 (1)

Weight, g/mol:

566.080699

ΔHf, kcal/mol:

-324.12

Dipole, Da:

11.98

IP(EA), eV:

 -8.87(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxopyrimidin-1-yl]-N-(5-methyl-6H-1,3,4-thiadiazin-2-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(CC(=O)N1CCC[C@H]1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)NC

DOS

IR

Vibrations