Geometry & MOs

Info

ID:	418971
PubChem CID:	135107236
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	417.156767
ΔH_f, kcal/mol:	-91.81
Dipole, Da:	5.36
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-9-oxa-1,13,14,15,20-pentazatetracyclo[19.3.1.113,16.03,8]hexacosa-3(8),4,6,14,16(26)-pentaene-2,19-dione

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCC2=CC=C(C=C2)O)O)CC3=CC=NC=C3

DOS

IR

Vibrations