Geometry & MOs

Info

ID:	190602
PubChem CID:	78027512
Reduced:	SN3H13C19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	347.136887
ΔH_f, kcal/mol:	117.49
Dipole, Da:	1.73
IP(EA), eV:	-7.96(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-3-[3-methoxy-4-(methoxymethyl)phenyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C(=C3C4=CC=CC5=C4C(=CC=C5)N3)N

DOS

IR

Vibrations