Geometry & MOs

Info

ID:	189315
PubChem CID:	77840372
Reduced:	NO3C18H23 (1)
Stoich.:	AB3C18D23 (1)
Weight, g/mol:	424.166808
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	1.79
IP(EA), eV:	-8.9(0.07)
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]heptane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)O)NCC(COC2=CC=CC=C2)O

DOS

IR

Vibrations