Geometry & MOs

Info

ID:	46871
PubChem CID:	10528029
Reduced:	P2O3N4C22H32 (1)
Stoich.:	A2B3C4D22E32 (1)
Weight, g/mol:	462.124943
ΔH_f, kcal/mol:	-137.74
Dipole, Da:	5.5
IP(EA), eV:	-8.68(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzhydryl (6R,7R)-7-formamido-3-(4-hydroxybut-1-ynyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1N=C2CCCC[C@]23P1C(P4[C@]35CCCCC5=NN4C(=O)C)C(=O)C(C)(C)C

DOS

IR

Vibrations