Geometry & MOs

Info

ID:

441501

PubChem CID:

135235424

Reduced:

SO4N8C26H30 (1)

Stoich.:

AB4C8D26E30 (1)

Weight, g/mol:

492.205593

ΔHf, kcal/mol:

10.63

Dipole, Da:

5.03

IP(EA), eV:

 -9.28(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[bis(pyridin-2-ylmethyl)amino]methyl]triazol-1-yl]-N-(3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)([C@H](C(=O)O)N1C2C[C@]2(C1=O)NC(=O)CN3C=C(N=N3)CN(CC4=CC=CC=N4)CC5=CC=CC=N5)S

DOS

IR

Vibrations