Geometry & MOs

Info

ID:

429275

PubChem CID:

135169184

Reduced:

O3N5C28H37 (1)

Stoich.:

A3B5C28D37 (1)

Weight, g/mol:

598.326754

ΔHf, kcal/mol:

-102.2

Dipole, Da:

3.22

IP(EA), eV:

 -8.85(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-1-N-[(1R)-1-cyclohexylpropyl]-3-[[2-[(4-methoxyphenyl)methylamino]pyridin-4-yl]methyl]-2-N-methyl-4-oxo-2-N-pyridin-4-ylazetidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1CCCCC1)NC(=O)N2[C@@H](C(C2=O)CC3=CC(=NC=C3)N)C(=O)N(C)C4=CC=CC=C4C

DOS

IR

Vibrations