Geometry & MOs

Info

ID:	57022
PubChem CID:	22395231
Reduced:	OSN2C7H10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	506.118144
ΔH_f, kcal/mol:	-8.85
Dipole, Da:	3.76
IP(EA), eV:	-9.15(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 7-amino-3-methylidene-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate;4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=CN2C(C(C2=O)N)SC1

DOS

IR

Vibrations