Geometry & MOs

Info

ID:	150923
PubChem CID:	53790620
Reduced:	Cl2N3O3H11C14 (1)
Stoich.:	A2B3C3D11E14 (1)
Weight, g/mol:	430.97867
ΔH_f, kcal/mol:	-57.65
Dipole, Da:	2.19
IP(EA), eV:	-9.94(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[(4-bromo-2-methoxyimino-3-oxobutanoyl)amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC(=O)NN2C(C1C(=O)O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations