Geometry & MOs

Info

ID:

446803

PubChem CID:

135277835

Reduced:

O2F3N5C28H32 (1)

Stoich.:

A2B3C5D28E32 (1)

Weight, g/mol:

495.137905

ΔHf, kcal/mol:

-146.18

Dipole, Da:

5.67

IP(EA), eV:

 -8.43(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-2-[[4-(3-cyanophenyl)-6-[1-[[6-(trifluoromethyl)pyridin-2-yl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]acetic acid

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(N1C(C3CC3)O)C=CC(=C2OC4=NC=C(C=C4)C(F)(F)F)C5=CN(N=C5)C6CCNCC6

DOS

IR

Vibrations