Geometry & MOs

Info

ID:	150935
PubChem CID:	53790632
Reduced:	O2S2C35H50 (1)
Stoich.:	A2B2C35D50 (1)
Weight, g/mol:	566.325223
ΔH_f, kcal/mol:	-86.98
Dipole, Da:	4.27
IP(EA), eV:	-8.74(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 3-[4-(4-decylbenzenecarbothioyl)sulfanylphenyl]-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC=C(C=C1)C(=S)SC2=CC=C(C=C2)C=C(C)C(=O)O[C@H](C)CCCCCC

DOS

IR

Vibrations