Geometry & MOs

Info

ID:	218007
PubChem CID:	85088733
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	420.092597
ΔH_f, kcal/mol:	-77.98
Dipole, Da:	4.74
IP(EA), eV:	-8.55(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-3-cyclopentylprop-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C3CNC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations