Geometry & MOs

Info

ID:	435523
PubChem CID:	135191715
Reduced:	NH29C33 (1)
Stoich.:	AB29C33 (1)
Weight, g/mol:	358.175522
ΔH_f, kcal/mol:	102.34
Dipole, Da:	1.35
IP(EA), eV:	-7.89(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-tricyclo[5.3.0.08,10]deca-1(7),3,5-trienyl)-4-[(4S)-3,4,5-trimethylcyclohexa-1,5-dien-1-yl]benzenethiol

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)NC4=C(C=C(C=C4)C5=CC=CC=C5)C6=CC=CCC6)C

DOS

IR

Vibrations