Geometry & MOs

Info

ID:	189447
PubChem CID:	77857437
Reduced:	SN2O5C19H34 (1)
Stoich.:	AB2C5D19E34 (1)
Weight, g/mol:	352.084141
ΔH_f, kcal/mol:	-242.39
Dipole, Da:	7.61
IP(EA), eV:	-8.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxymethyl)-7-oxo-3-[2-(1,2,4-triazol-1-yl)ethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-yl] prop-2-enyl carbonate

Drug info:

PubChemData

Smile

CC1(CCCCC(C1SCC(C(=O)C(CC(=O)O)N)(C(=O)OC)N)(C)C)C

DOS

IR

Vibrations