Geometry & MOs

Info

ID:	148126
PubChem CID:	53787788
Reduced:	ClSN2O2C24H27 (1)
Stoich.:	ABC2D2E24F27 (1)
Weight, g/mol:	432.041825
ΔH_f, kcal/mol:	-32.17
Dipole, Da:	6.81
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (6S)-7-amino-3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1CC2=CC=CC=C2Cl)C=C(CC3=CC=CS3)C(C)C(=O)O

DOS

IR

Vibrations