Geometry & MOs

Info

ID:	435680
PubChem CID:	135192145
Reduced:	SC23H28 (1)
Stoich.:	AB23C28 (1)
Weight, g/mol:	379.233371
ΔH_f, kcal/mol:	2.75
Dipole, Da:	2.22
IP(EA), eV:	-8.2(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1,2-dimethyl-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzothiol-3-yl)-2-methylphenyl]-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCCCC1=CC(=CC=C1)[C@@H]2C([C@@H](C3C2SC4=CC=CC=C34)C)C

DOS

IR

Vibrations