Geometry & MOs

Info

ID:	419439
PubChem CID:	135108185
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	621.36789
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	4.5
IP(EA), eV:	-8.86(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-14-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]-6-ethyl-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCCN2C=CC=C2

DOS

IR

Vibrations