Geometry & MOs

Info

ID:	422703
PubChem CID:	135118274
Reduced:	OSN7C18H21 (1)
Stoich.:	ABC7D18E21 (1)
Weight, g/mol:	477.237604
ΔH_f, kcal/mol:	73.98
Dipole, Da:	5.34
IP(EA), eV:	-8.56(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methoxy-2,10-dioxa-5,6,7,18,23-pentazapentacyclo[24.2.2.15,8.118,22.011,16]dotriaconta-1(29),6,8(32),11(16),12,14,26(30),27-octaen-24-one

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)NCC3=CSC(=N3)C4=NC=CC=N4

DOS

IR

Vibrations