Geometry & MOs

Info

ID:	189338
PubChem CID:	77842071
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	341.07939
ΔH_f, kcal/mol:	-1.93
Dipole, Da:	7.9
IP(EA), eV:	-8.57(-2.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxymethyl)-7-oxo-3-[4-(tetrazol-1-yl)butyl]-4-thia-1-azabicyclo[3.2.0]hept-2-en-2-yl] hydrogen carbonate

Drug info:

PubChemData

Smile

CC1=C2C=C3C(=NC(=C4C=CC(=O)C=C4)N3)C=C2N(C1=O)CCOC

DOS

IR

Vibrations