Geometry & MOs

Info

ID:	309961
PubChem CID:	126570639
Reduced:	NC17H23 (1)
Stoich.:	AB17C23 (1)
Weight, g/mol:	396.075491
ΔH_f, kcal/mol:	29.25
Dipole, Da:	1.71
IP(EA), eV:	-8.74(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,16-dithia-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),4(12),5,7,9,13,18(26),19,21,23,27-undecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=C2[C@H](CCNC3)CC14CC4)C

DOS

IR

Vibrations