Geometry & MOs

Info

ID:	415596
PubChem CID:	135088594
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-99.96
Dipole, Da:	3.45
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

18,21-dimethyl-2,10-dioxa-5,6,7,18,21-pentazatetracyclo[21.2.2.14,7.111,15]nonacosa-1(26),4(29),5,11,13,15(28),23(27),24-octaen-17-one

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)C3=CC=C(O3)CSC

DOS

IR

Vibrations