Geometry & MOs

Info

ID:

309674

PubChem CID:

126554017

Reduced:

PF2N6O8C30H39 (1)

Stoich.:

AB2C6D8E30F39 (1)

Weight, g/mol:

564.155578

ΔHf, kcal/mol:

-434.78

Dipole, Da:

2.91

IP(EA), eV:

 -8.72(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-[5-chloro-2-(5-chloro-1,2-dihydrotriazol-3-yl)phenyl]-6-oxopyrimidin-1-yl]-N-(2-ethyl-5-methylpyrazol-3-yl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@]([C@@H]([C@](O3)(COP(=O)(N[C@@H](C)C(=O)OC4CCCCC4)OC5=CC=CC=C5)F)O)(C(=C)C)F)N

DOS

IR

Vibrations