Geometry & MOs

Info

ID:	418845
PubChem CID:	135106950
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	499.25834
ΔH_f, kcal/mol:	-82.8
Dipole, Da:	4.29
IP(EA), eV:	-9.62(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,13S)-11-(6-propan-2-ylpyridazin-3-yl)-8-oxa-11,14,19-triazatetracyclo[19.3.1.12,6.09,13]hexacosa-1(25),2,4,6(26),21,23-hexaene-15,20-dione

Drug info:

PubChemData

Smile

CC(C)(C(=O)N[C@@H]1COC[C@H]1CC2=CC=NC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations