Geometry & MOs

Info

ID:	224385
PubChem CID:	85342339
Reduced:	O9C18H34 (1)
Stoich.:	A9B18C34 (1)
Weight, g/mol:	395.097349
ΔH_f, kcal/mol:	-414.44
Dipole, Da:	4.8
IP(EA), eV:	-9.71(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-4-methyl-7-oxo-3-[(4-pyrrolidin-2-yl-1,3-thiazol-2-yl)sulfanyl]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)COCC1C(C(C(C(O1)OCCC(=O)O)OCC(C)O)OC)OC

DOS

IR

Vibrations