Geometry & MOs

Info

ID:	135944
PubChem CID:	51957855
Reduced:	SN5O6C18H23 (1)
Stoich.:	AB5C6D18E23 (1)
Weight, g/mol:	443.278407
ΔH_f, kcal/mol:	-107.09
Dipole, Da:	9.01
IP(EA), eV:	-9.07(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CN2C=C(C=N2)NC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations