Geometry & MOs

Info

ID:	181272
PubChem CID:	76725879
Reduced:	ClSN3O3C22H30 (1)
Stoich.:	ABC3D3E22F30 (1)
Weight, g/mol:	576.072935
ΔH_f, kcal/mol:	-119.9
Dipole, Da:	3.46
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[3-[5-chloro-2-[(3,5-dichlorophenyl)sulfanylmethyl]-3-(oxan-2-yloxy)cyclopentyl]propyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)(C2=CC=C(C=C2)Cl)O)NC3=NC(=CS3)CO

DOS

IR

Vibrations