Geometry & MOs

Info

ID:	181350
PubChem CID:	76732823
Reduced:	NSO4C27H39 (1)
Stoich.:	ABC4D27E39 (1)
Weight, g/mol:	472.079734
ΔH_f, kcal/mol:	-173.31
Dipole, Da:	4.45
IP(EA), eV:	-8.53(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[3-[5-chloro-2-[2-(3,5-dichlorophenyl)ethyl]-3-methylcyclopentyl]propyl]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SCC2C(C=CC2=O)CCCCCCC(=O)OCCN3CCOCC3)C

DOS

IR

Vibrations