Geometry & MOs

Info

ID:	381839
PubChem CID:	134972684
Reduced:	SC20H20 (1)
Stoich.:	AB20C20 (1)
Weight, g/mol:	438.165351
ΔH_f, kcal/mol:	49.96
Dipole, Da:	2.17
IP(EA), eV:	-8.27(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,3-dimethyl-5-phenyl-6-phenylsulfanylphenyl)-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C(CC(=C(C1)C2=CC=CC=C2)SC3=CC=CC=C3)C

DOS

IR

Vibrations