Geometry & MOs

Info

ID:	168652
PubChem CID:	74998919
Reduced:	OSN5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	364.106887
ΔH_f, kcal/mol:	118.26
Dipole, Da:	2.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126047
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[2-(aminomethyl)oxolan-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=[N+]2C=C1COC3=CC=C(C=C3)C=NNC4=NC=CS4

DOS

IR

Vibrations