Geometry & MOs

Info

ID:	336985
PubChem CID:	127256550
Reduced:	SN4O4C19H20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	455.132865
ΔH_f, kcal/mol:	-109.82
Dipole, Da:	8.83
IP(EA), eV:	-8.67(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,7R,8R)-7-(4-nitrobenzoyl)oxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCN\1C(=O)/C(=C/NC2=CC=C(C=C2)NC(=O)C)/S/C1=C(\C#N)/C(=O)OCC

DOS

IR

Vibrations