Geometry & MOs

Info

ID:	148923
PubChem CID:	53788593
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	373.20755
ΔH_f, kcal/mol:	-43.07
Dipole, Da:	1.6
IP(EA), eV:	-9.4(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-(octylamino)-3-oxoprop-1-enyl] 1,2,3,4-tetrahydronaphthalene-2-carbothioate

Drug info:

PubChemData

Smile

C1CCC(C1)C2=CC=CC(=C2)CO

DOS

IR

Vibrations