Geometry & MOs

Info

ID:	423406
PubChem CID:	135119444
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	574.347883
ΔH_f, kcal/mol:	-62.56
Dipole, Da:	2.06
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-14-[2-(4-acetyl-3,5-dimethylpyrazol-1-yl)acetyl]-6-(2-methoxyacetyl)-2-(3-methylbutanoyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)NCCC3=NC(=NN3)N

DOS

IR

Vibrations