Geometry & MOs

Info

ID:	219069
PubChem CID:	85090435
Reduced:	N2O8C29H42 (1)
Stoich.:	A2B8C29D42 (1)
Weight, g/mol:	546.30535
ΔH_f, kcal/mol:	-375.17
Dipole, Da:	5.55
IP(EA), eV:	-9.57(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[1-[2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperidine-3-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CCCCC1COC(=O)CCC(C(=O)NC(C(C(=O)O1)O)CC2CCCCC2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations