Geometry & MOs

Info

ID:

429160

PubChem CID:

135169007

Reduced:

FO3N6C27H29 (1)

Stoich.:

AB3C6D27E29 (1)

Weight, g/mol:

521.194216

ΔHf, kcal/mol:

-94.91

Dipole, Da:

3.3

IP(EA), eV:

 -8.99(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-[(2-amino-6-methylpyridin-4-yl)methyl]-1-N-[(1R)-1-(3-chlorophenyl)propyl]-2-N-methyl-4-oxo-2-N-pyrimidin-2-ylazetidine-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)C4=CC(=CC=C4)F

DOS

IR

Vibrations