Geometry & MOs

Info

ID:	151367
PubChem CID:	53801147
Reduced:	O5N6C26H42 (1)
Stoich.:	A5B6C26D42 (1)
Weight, g/mol:	270.067428
ΔH_f, kcal/mol:	-212.94
Dipole, Da:	5.38
IP(EA), eV:	-8.9(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-amino-3-butanoyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N([C@@H](CCCN=C(N)N)C=O)C(=O)OCC1=CC=CC=C1)N

DOS

IR

Vibrations