Geometry & MOs

Info

ID:	189663
PubChem CID:	77885951
Reduced:	SN2O8C30H34 (1)
Stoich.:	AB2C8D30E34 (1)
Weight, g/mol:	395.024578
ΔH_f, kcal/mol:	-298.81
Dipole, Da:	2.81
IP(EA), eV:	-9.49(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-acetamido-3-[2-(5-nitrothiophen-2-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC(CC1=CC=CC=C1)C2(CN3C(C(C3=O)NC(=O)C(C4=CC=CC=C4)C(=O)OC(C)(C)C)SC2)C(=O)O

DOS

IR

Vibrations