Geometry & MOs

Info

ID:	186295
PubChem CID:	77416119
Reduced:	ClN2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	548.182852
ΔH_f, kcal/mol:	-14.3
Dipole, Da:	2.34
IP(EA), eV:	-9.9(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-(2,2-dimethylpropanoyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-4,7-dicarboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1C2CCC1C(C2)C#N.Cl

DOS

IR

Vibrations