Geometry & MOs

Info

ID:	446346
PubChem CID:	135274244
Reduced:	S2N3C6H11 (1)
Stoich.:	A2B3C6D11 (1)
Weight, g/mol:	459.1987
ΔH_f, kcal/mol:	14.97
Dipole, Da:	3.26
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,15-dimethyl-12-naphthalen-1-yl-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6,8,10,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

CC1CNC(=S)N1C(=S)NC

DOS

IR

Vibrations