Geometry & MOs

Info

ID:	146360
PubChem CID:	53675716
Reduced:	N5H7C9 (1)
Stoich.:	A5B7C9 (1)
Weight, g/mol:	398.04671
ΔH_f, kcal/mol:	123.01
Dipole, Da:	1.59
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2C3=NC=CN3

DOS

IR

Vibrations