Geometry & MOs

Info

ID:	221267
PubChem CID:	85267026
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	369.045313
ΔH_f, kcal/mol:	-22.98
Dipole, Da:	6.73
IP(EA), eV:	-8.28(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNC1C(CNN1)C2=CC=CC=C2OC)C3=NN(C=C3)C

DOS

IR

Vibrations