Geometry & MOs

Info

ID:	150610
PubChem CID:	53790303
Reduced:	SN3C5H9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	611.100536
ΔH_f, kcal/mol:	85.15
Dipole, Da:	4.38
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[[2-[4-(hydroxymethyl)phenyl]-2-[(6-oxo-1H-pyrimidine-5-carbonyl)amino]acetyl]amino]-3-(1-methyltetrazole-5-carbothioyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CN1CC=NN1CC=S

DOS

IR

Vibrations