Geometry & MOs

Info

ID:	430101
PubChem CID:	135170158
Reduced:	OSN2H16C22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	342.21297
ΔH_f, kcal/mol:	64.06
Dipole, Da:	4.85
IP(EA), eV:	-8.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylcyclopenten-1-yl)-4-(methylideneamino)-2-(4-pyrrolidin-1-ylbutyl)benzenethiol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C(SC4=CC=CC=C4N3)C5=CC(=CC=C5)N

DOS

IR

Vibrations