Geometry & MOs

Info

ID:	418812
PubChem CID:	135106863
Reduced:	ClON3C20H26 (1)
Stoich.:	ABC3D20E26 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-24.4
Dipole, Da:	5.45
IP(EA), eV:	-8.55(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S,14S)-2,9-dioxa-12,15,19-triazatetracyclo[21.2.2.13,7.010,14]octacosa-1(25),3,5,7(28),23,26-hexaene-16,20-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=CC(=C2)Cl)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations