Geometry & MOs

Info

ID:	187775
PubChem CID:	77622006
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	600.334542
ΔH_f, kcal/mol:	-96.59
Dipole, Da:	4.65
IP(EA), eV:	-8.76(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[(1-benzylpiperidin-4-yl)-[3-(cyclohexylmethylsulfanyl)propanoyl]amino]carbamoyl]-4-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1CCC2C(C1)C(=O)NNC2C3=CC=CC=C3OC

DOS

IR

Vibrations