Geometry & MOs

Info

ID:	168616
PubChem CID:	74995359
Reduced:	PN4O9C27H51 (1)
Stoich.:	AB4C9D27E51 (1)
Weight, g/mol:	334.059937
ΔH_f, kcal/mol:	-561.52
Dipole, Da:	2.54
IP(EA), eV:	-9.78(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-(2-acetamidoethenylsulfanyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)OP(=O)(O)O

DOS

IR

Vibrations