Geometry & MOs

Info

ID:	415282
PubChem CID:	135088274
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	646.326754
ΔH_f, kcal/mol:	-122.22
Dipole, Da:	8.15
IP(EA), eV:	-9.53(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,13S)-2-benzoyl-14-(2,3-dihydro-1-benzofuran-5-carbonyl)-6-[(3-pyrazol-1-ylphenyl)methyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations