Geometry & MOs

Info

ID:	311945
PubChem CID:	126599426
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	590.358054
ΔH_f, kcal/mol:	-111.58
Dipole, Da:	3.75
IP(EA), eV:	-9.07(1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[5-[2-[4-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]ethyl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-imidazol-2-yl]methyl]-N-propylcarbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C)OC)C(=O)N1CCCC1

DOS

IR

Vibrations