Geometry & MOs

Info

ID:	147195
PubChem CID:	53786849
Reduced:	PSN2O3C19H29 (1)
Stoich.:	ABC2D3E19F29 (1)
Weight, g/mol:	415.09504
ΔH_f, kcal/mol:	-158.27
Dipole, Da:	1.93
IP(EA), eV:	-8.94(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(6-aminopyridin-2-yl)-2-prop-2-ynoxyiminoacetyl]amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)N2CCOCC2)NP(=S)(OCC=C)OCC=C

DOS

IR

Vibrations