Geometry & MOs

Info

ID:	133919
PubChem CID:	51613945
Reduced:	NO2C13H18 (2)
Stoich.:	AB2C13D18 (2)
Weight, g/mol:	440.267508
ΔH_f, kcal/mol:	-174.81
Dipole, Da:	3.2
IP(EA), eV:	-9.57(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-phenylbutyl] N-[4-[[(1S)-1-phenylbutoxy]carbonylamino]butyl]carbamate

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)OC(=O)NCCCCNC(=O)O[C@@H](CCC)C2=CC=CC=C2

DOS

IR

Vibrations