Geometry & MOs

Info

ID:	168584
PubChem CID:	74990967
Reduced:	N4O5C14H20 (1)
Stoich.:	A4B5C14D20 (1)
Weight, g/mol:	431.072196
ΔH_f, kcal/mol:	-146.88
Dipole, Da:	3.46
IP(EA), eV:	-10.04(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-amino-2-phenylacetyl)amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanyl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)C2C(C(C=C(O2)C(=O)O)N)NC(=O)C

DOS

IR

Vibrations