Geometry & MOs

Info

ID:	421587
PubChem CID:	135116267
Reduced:	SN2O5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	548.312934
ΔH_f, kcal/mol:	-143.19
Dipole, Da:	6.48
IP(EA), eV:	-9.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-14-[2-(3-chlorophenoxy)acetyl]-2-(3-methylbutanoyl)-6-(2-methylpropyl)-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations