Geometry & MOs

Info

ID:	135267
PubChem CID:	51844389
Reduced:	NOC16H19 (2)
Stoich.:	ABC16D19 (2)
Weight, g/mol:	533.325357
ΔH_f, kcal/mol:	-36.83
Dipole, Da:	4.56
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-[[(2S)-1-(cyclohexylamino)-1-oxoheptan-2-yl]-phenylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](C(=O)NC(C)(C)C)N(C1=CC=CC=C1)C(=O)/C(=C/C2=CC=CC=C2)/C3=CC=CC=C3

DOS

IR

Vibrations