Geometry & MOs

Info

ID:	148225
PubChem CID:	53787887
Reduced:	ClS2N5O7H20C21 (1)
Stoich.:	AB2C5D7E20F21 (1)
Weight, g/mol:	334.062343
ΔH_f, kcal/mol:	-175.24
Dipole, Da:	1.62
IP(EA), eV:	-9.31(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NCC1=C(N2[C@H](C(C2=O)NC(=O)CSC3=NN=C(O3)COC4=CC=C(C=C4)Cl)SC1)C(=O)O

DOS

IR

Vibrations