Geometry & MOs

Info

ID:	1584
PubChem CID:	4729
Reduced:	SN2O4C16H17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	333.090903
ΔH_f, kcal/mol:	-120.91
Dipole, Da:	6.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758454
Charge, e:	-1

Chem-info

IUPAC name:

3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C

DOS

IR

Vibrations