Geometry & MOs

Info

ID:	159779
PubChem CID:	57288741
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	389.162057
ΔH_f, kcal/mol:	-60.92
Dipole, Da:	5.14
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-4-[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]-4-(hydroxymethyl)-3,3-dimethyl-7-oxo-4lambda4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](CCN1C(=O)O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations