Geometry & MOs

Info

ID:	46238
PubChem CID:	10523461
Reduced:	NOC12H13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	374.075885
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	5.79
IP(EA), eV:	-8.66(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,10,13-trioxa-3,17-dithia-24,25-diazatetracyclo[17.3.1.12,5.115,18]pentacosa-1(23),2(25),4,15,18(24),19,21-heptaene

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCC2=C1C=CC=C2OC)C(=O)CC3=CC4=C(C=C3)C=CN=C4

DOS

IR

Vibrations