Geometry & MOs

Info

ID:	316081
PubChem CID:	126629973
Reduced:	S2H18C23 (1)
Stoich.:	A2B18C23 (1)
Weight, g/mol:	465.155121
ΔH_f, kcal/mol:	91.52
Dipole, Da:	0.8
IP(EA), eV:	-8.7(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,15-dimethyl-25-phenyl-5-thia-25-azaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=C(S5)C

DOS

IR

Vibrations