Geometry & MOs

Info

ID:	405947
PubChem CID:	135076045
Reduced:	NO2S2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	427.999376
ΔH_f, kcal/mol:	-57.24
Dipole, Da:	2.91
IP(EA), eV:	-8.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-[2,4,4-trichloro-1-(2,5-dimethylphenyl)sulfanylbuta-1,3-dienyl]sulfanylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(=C2SCCS2)C(=O)/C=C/C(C)(C)C

DOS

IR

Vibrations