Geometry & MOs

Info

ID:	420244
PubChem CID:	135112025
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	668.307081
ΔH_f, kcal/mol:	-34.82
Dipole, Da:	3.27
IP(EA), eV:	-8.76(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-6-(2,5-dimethylfuran-3-carbonyl)-14-[2-[4-(tetrazol-1-yl)phenoxy]acetyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=C(O1)C(=O)N)CN2CCC(CC2)C3=NN=CN3C

DOS

IR

Vibrations