Geometry & MOs

Info

ID:	132626
PubChem CID:	51388170
Reduced:	ON5C19H33 (1)
Stoich.:	AB5C19D33 (1)
Weight, g/mol:	466.055167
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	8.29
IP(EA), eV:	-9.42(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCN1C(C(CC2C1NC3C(CCCN3C2=O)C)C#N)N

DOS

IR

Vibrations