Geometry & MOs

Info

ID:	311941
PubChem CID:	126599422
Reduced:	NC9H17 (1)
Stoich.:	AB9C17 (1)
Weight, g/mol:	617.332568
ΔH_f, kcal/mol:	4.13
Dipole, Da:	1.92
IP(EA), eV:	-9.3(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[5-[3-[2-[2-[[(2-methylpropan-2-yl)oxycarbonyl-propylamino]methyl]-1H-imidazol-5-yl]-1,3-oxazol-5-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)/C=C(/CCN)\C=C

DOS

IR

Vibrations