Geometry & MOs

Info

ID:	222017
PubChem CID:	85293414
Reduced:	NO8C24H33 (1)
Stoich.:	AB8C24D33 (1)
Weight, g/mol:	463.261711
ΔH_f, kcal/mol:	-352.94
Dipole, Da:	0.72
IP(EA), eV:	-9.63(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-3-cyclohexylpropanoyl)-N-[6-amino-1-oxo-1-(1,3-thiazol-2-yl)hexan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(C(=O)OCC(C(=O)O1)NC(=O)OC(C)(C)C)CC2=CC=CC=C2)OC(=O)C(C)C

DOS

IR

Vibrations