Geometry & MOs

Info

ID:

442824

PubChem CID:

135256441

Reduced:

O4N5C24H29 (1)

Stoich.:

A4B5C24D29 (1)

Weight, g/mol:

553.254986

ΔHf, kcal/mol:

-109.2

Dipole, Da:

3.79

IP(EA), eV:

 -8.54(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-1-[6-[[4-[6-(3-cyanophenyl)-2-[(2-hydroxy-2-methylpropyl)amino]pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC=C)C1=NN(C2=CC=CC=C21)C3=C(C=C(C=C3)NC(=O)OC)N

DOS

IR

Vibrations