Geometry & MOs

Info

ID:	421644
PubChem CID:	135116344
Reduced:	SN2O4C13H22 (1)
Stoich.:	AB2C4D13E22 (1)
Weight, g/mol:	519.259403
ΔH_f, kcal/mol:	-126.23
Dipole, Da:	5.4
IP(EA), eV:	-9.17(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-(2-pyridin-3-ylacetyl)-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)CCS(=O)(=O)C

DOS

IR

Vibrations