Geometry & MOs

Info

ID:	179447
PubChem CID:	76484584
Reduced:	O5C27H42 (1)
Stoich.:	A5B27C42 (1)
Weight, g/mol:	482.232482
ΔH_f, kcal/mol:	-285.33
Dipole, Da:	2.62
IP(EA), eV:	-9.32(0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl 4-[1-acetylsulfanyl-3-[2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-ium-1-yl]-3-oxopropyl]imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCCC1CCC2(C3CCC4(C(CCC4C3CC=C2C1)CCOC(=O)C)C)CO

DOS

IR

Vibrations