Geometry & MOs

Info

ID:	189313
PubChem CID:	77840370
Reduced:	N2O5C15H22 (1)
Stoich.:	A2B5C15D22 (1)
Weight, g/mol:	422.151158
ΔH_f, kcal/mol:	-197.74
Dipole, Da:	2.9
IP(EA), eV:	-9.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxymethyl 6-(hydroxymethyl)-7-oxo-3-(2-pyrrol-1-ylpropyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CC(=O)O)NC1C(N(C1=O)CC=C)C2COC(O2)(C)C

DOS

IR

Vibrations