Geometry & MOs

Info

ID:	177029
PubChem CID:	76126222
Reduced:	NO11C32H51 (1)
Stoich.:	AB11C32D51 (1)
Weight, g/mol:	354.133491
ΔH_f, kcal/mol:	-481.54
Dipole, Da:	9.45
IP(EA), eV:	-8.59(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3,3-dimethyl-7-oxo-2-(tetrazolidin-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-(tetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCC=CC=CC(=O)C(C)CC(CC1OCCO1)C2C(C(CC(=O)OC3C(C(C(OC3O2)C)O)N(C)C)OC(=O)C)OC

DOS

IR

Vibrations