Geometry & MOs

Info

ID:

448181

PubChem CID:

135289075

Reduced:

FSO3N7H28C31 (1)

Stoich.:

ABC3D7E28F31 (1)

Weight, g/mol:

630.129757

ΔHf, kcal/mol:

2.84

Dipole, Da:

11.4

IP(EA), eV:

 -8.23(-1.67)

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-(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C/4\C=C5C(=N4)C=CN=C5C6=CC(=CC(=C6)CNS(=O)(=O)C)F

DOS

IR

Vibrations