Geometry & MOs

Info

ID:

441500

PubChem CID:

135235423

Reduced:

PN4C28H35 (1)

Stoich.:

AB4C28D35 (1)

Weight, g/mol:

550.211073

ΔHf, kcal/mol:

121.96

Dipole, Da:

2.83

IP(EA), eV:

 -8.69(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(4S)-4-[[2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]acetyl]amino]-3-oxo-2-azabicyclo[2.1.0]pentan-2-yl]-3-methyl-3-sulfanylbutanoic acid

Drug info:

PubChemData

Smile

C/C(=C\C=C/C=C)/CN(CCN(CC1=CC=CC=N1)CC2=CC=CCP2)CC3=CC=CC=N3

DOS

IR

Vibrations