Geometry & MOs

Info

ID:	217920
PubChem CID:	85088594
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	412.166808
ΔH_f, kcal/mol:	-193.52
Dipole, Da:	2.64
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[3-(acetyloxymethyl)-7-ethyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C(=O)NC(C)C(=O)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations