Geometry & MOs

Info

ID:	23239
PubChem CID:	602903
Reduced:	N2S2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	366.122441
ΔH_f, kcal/mol:	67.88
Dipole, Da:	4.4
IP(EA), eV:	-8.24(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3,11-dithia-22-azatetracyclo[11.6.2.15,9.014,19]docosa-1(20),5,7,9(22),13(21),14,16,18-octaen-7-amine

Drug info:

PubChemData

Smile

CN(C)C1=CC2=NC(=C1)CSCC3=CC=C(CSC2)C4=CC=CC=C34

DOS

IR

Vibrations