Geometry & MOs

Info

ID:	404726
PubChem CID:	135069971
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	595.13517
ΔH_f, kcal/mol:	-129.99
Dipole, Da:	2.39
IP(EA), eV:	-10.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3S,5S)-3-bromo-2-(4-tert-butylphenyl)-5-[[(4-nitrophenyl)sulfonylamino]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2(CC(=C)CC1(C2=O)CC=C)C)C(=O)OC

DOS

IR

Vibrations