Geometry & MOs

Info

ID:	146522
PubChem CID:	53699869
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	2.12
IP(EA), eV:	-10.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,6R)-6-[(2-amino-2-cyclohexa-1,4-dien-1-ylpropanoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC.CN1C(=O)CCC1=O

DOS

IR

Vibrations