Geometry & MOs

Info

ID:	159060
PubChem CID:	57260100
Reduced:	NO2C19H26 (2)
Stoich.:	AB2C19D26 (2)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	-160.83
Dipole, Da:	2.15
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-2-cyclohexyl-1-[(3S,5S)-2-oxo-5-(pyridin-3-ylmethyl)oxolan-3-yl]ethyl]carbamate

Drug info:

PubChemData

Smile

CCCCCN(CCCCCCC1=CC=CC=C1)[C@@H]2CC[C@H]3[C@H]4CC5=C6[C@]3([C@H]2OC6=C(C=C5)OC(=O)C)CCN4CC(=O)C

DOS

IR

Vibrations