Geometry & MOs

Info

ID:	4384
PubChem CID:	11330
Reduced:	N2S2O4C13H18 (1)
Stoich.:	A2B2C4D13E18 (1)
Weight, g/mol:	330.070799
ΔH_f, kcal/mol:	-143.06
Dipole, Da:	5.63
IP(EA), eV:	-9.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)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)CSCC=C)C(=O)O)C

DOS

IR

Vibrations