Geometry & MOs

Info

ID:	194356
PubChem CID:	78522713
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	404.155849
ΔH_f, kcal/mol:	-97.8
Dipole, Da:	6.32
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-methylsulfanylacetyl)-3-naphthalen-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)C5=CC=CO5

DOS

IR

Vibrations