Geometry & MOs

Info

ID:	45993
PubChem CID:	10520139
Reduced:	ClO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	326.068491
ΔH_f, kcal/mol:	-94.18
Dipole, Da:	7.79
IP(EA), eV:	-8.39(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6Z)-3,3-dimethyl-6-[(1-methyltriazol-4-yl)methylidene]-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1CN(C)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations