Geometry & MOs

Info

ID:	150174
PubChem CID:	53789861
Reduced:	O2N7H9C16 (1)
Stoich.:	A2B7C9D16 (1)
Weight, g/mol:	753.190204
ΔH_f, kcal/mol:	110.19
Dipole, Da:	4.72
IP(EA), eV:	-8.68(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl (6S,7R)-7-amino-8-oxo-3-[2,2,2-triphenyl-1-(2H-triazol-4-ylsulfanyl)ethyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(=C3N)C#N)N4N=CN=N4)N

DOS

IR

Vibrations