Geometry & MOs

Info

ID:	163658
PubChem CID:	58106557
Reduced:	SH10C16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	396.154787
ΔH_f, kcal/mol:	204.24
Dipole, Da:	1.02
IP(EA), eV:	-7.62(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(3-butoxypropyl)-13-thiahexacyclo[9.8.2.02,7.08,20.012,16.017,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene

Drug info:

PubChemData

Smile

CC1=C(SC2=C3C=CC4=C5C(=C(SC5=C6C4=C3C(=C12)C=C6)C7=CC=CC=C7)C8=CC=CC=C8)C

DOS

IR

Vibrations