Geometry & MOs

Info

ID:	5787
PubChem CID:	13788
Reduced:	CaSN2O4C16H18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	374.061319
ΔH_f, kcal/mol:	-172.83
Dipole, Da:	5.83
IP(EA), eV:	-7.07(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.[Ca+2]

DOS

IR

Vibrations