Geometry & MOs

Info

ID:	189651
PubChem CID:	77885125
Reduced:	NOC19H31 (1)
Stoich.:	ABC19D31 (1)
Weight, g/mol:	415.073259
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	5.56
IP(EA), eV:	-9.91(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[[1-[2-[carboxy(methyl)amino]ethyl]tetrazol-5-yl]sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(CC)C(C=CC1C2CCC(C2)C1CC#N)O

DOS

IR

Vibrations