Geometry & MOs

Info

ID:

429249

PubChem CID:

135169153

Reduced:

ON2C9H12 (3)

Stoich.:

AB2C9D12 (3)

Weight, g/mol:

531.245724

ΔHf, kcal/mol:

-93.49

Dipole, Da:

3.18

IP(EA), eV:

 -8.88(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-aminopyridin-4-yl)methyl]-1-N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]-2-N-ethyl-4-oxo-2-N-phenylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CN=C(C=C1)C)NC(=O)N2[C@@H]([C@@H](C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4CCCCC4

DOS

IR

Vibrations