Geometry & MOs

Info

ID:	381101
PubChem CID:	134971743
Reduced:	O2N4C11H24 (1)
Stoich.:	A2B4C11D24 (1)
Weight, g/mol:	564.294785
ΔH_f, kcal/mol:	-110.79
Dipole, Da:	4.62
IP(EA), eV:	-9.11(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2S,12S)-12-(9H-fluoren-9-ylmethoxycarbonylamino)-13-oxo-1,7-diazacyclotridecane-2-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CNCCCNC(=O)CCNC(=O)CCCN

DOS

IR

Vibrations