Geometry & MOs

Info

ID:	340182
PubChem CID:	127262191
Reduced:	N3O3C15H29 (1)
Stoich.:	A3B3C15D29 (1)
Weight, g/mol:	402.134635
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	5.88
IP(EA), eV:	-9.02(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-benzyl-3-[[(2S)-4-chloro-3-oxobutan-2-yl]amino]-3-oxo-1-phenylpropyl] carbamate

Drug info:

PubChemData

Smile

CC(C)[C@H](CC(C)(C)OC(=O)N)C(=O)N1CCCNCC1

DOS

IR

Vibrations