Geometry & MOs

Info

ID:	327896
PubChem CID:	126691257
Reduced:	ClON3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	388.111
ΔH_f, kcal/mol:	33.59
Dipole, Da:	3.18
IP(EA), eV:	-8.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[[(1S)-1-(5-bromo-1H-imidazol-2-yl)ethyl]-propylamino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)Cl

DOS

IR

Vibrations