Geometry & MOs

Info

ID:	967
PubChem CID:	3595
Reduced:	SN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	388.133102
ΔH_f, kcal/mol:	-72.36
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805968
Charge, e:	-1

Chem-info

IUPAC name:

6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)N3C(=O)C(NC3(C)C)C4=CC=CC=C4)C(=O)[O-])C

DOS

IR

Vibrations