Geometry & MOs

Info

ID:	189620
PubChem CID:	77882295
Reduced:	O3N4C30H46 (1)
Stoich.:	A3B4C30D46 (1)
Weight, g/mol:	307.033686
ΔH_f, kcal/mol:	-120.23
Dipole, Da:	3.56
IP(EA), eV:	-8.14(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-oxo-3-(2-phenylsulfanylethylidene)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)NCCCOC1=CC=CC(=C1O)C(CCCNC(=O)C)CCN2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations