Geometry & MOs

Info

ID:	416610
PubChem CID:	135089820
Reduced:	N5O7C37H47 (1)
Stoich.:	A5B7C37D47 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-250.67
Dipole, Da:	7.53
IP(EA), eV:	-9.0(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-3-ethoxypropanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CC4=CC=CC=C4OC=C3)C(C)C

DOS

IR

Vibrations